N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide

C133H191N33O10S — CID 160762198

IUPACN-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
SMILESC.C.C.C.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)cc(C)n1.CNc1cc(C(=O)N2CCCC2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC(C)C)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1
InChIInChI=1S/C12H17N3O.2C12H16N2O.2C12H18N2O.C10H12N4O.C10H15N3O.C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C4H6N2O.4CH4/c1-9-7-10(8-11(13-2)14-9)12(16)15-5-3-4-6-15;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-9(2)8-14-12(15)10-5-4-6-11(7-10)13-3;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-7-5-8(10(14)13(3)4)6-9(11-2)12-7;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-5-4-2-3-7-6-4;;;;/h7-8H,3-6H2,1-2H3,(H,13,14);2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;4-7,9,13H,8H2,1-3H3,(H,14,15);3-6,11H,1-2H3,(H,12,13,14);5-6H,1-4H3,(H,11,12);2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;2-3H,1H3,(H,5,6);4*1H4
InChIKeyRYFCUEIBTPSCCZ-UHFFFAOYSA-N
MW2444.28 g/mol
LogP24.67
Rot. Bonds32

About N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide

N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 160762198) has the molecular formula C133H191N33O10S and a molecular weight of 2444.28 g/mol. Its IUPAC name is N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID160762198
Molecular FormulaC133H191N33O10S
Molecular Weight2444.28 g/mol
Exact Mass2442.52
IUPAC NameN-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
SMILESC.C.C.C.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)cc(C)n1.CNc1cc(C(=O)N2CCCC2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC(C)C)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1
InChIInChI=1S/C12H17N3O.2C12H16N2O.2C12H18N2O.C10H12N4O.C10H15N3O.C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C4H6N2O.4CH4/c1-9-7-10(8-11(13-2)14-9)12(16)15-5-3-4-6-15;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-9(2)8-14-12(15)10-5-4-6-11(7-10)13-3;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-7-5-8(10(14)13(3)4)6-9(11-2)12-7;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-5-4-2-3-7-6-4;;;;/h7-8H,3-6H2,1-2H3,(H,13,14);2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;4-7,9,13H,8H2,1-3H3,(H,14,15);3-6,11H,1-2H3,(H,12,13,14);5-6H,1-4H3,(H,11,12);2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;2-3H,1H3,(H,5,6);4*1H4
InChIKeyRYFCUEIBTPSCCZ-UHFFFAOYSA-N
XLogP24.67
TPSA533.37 Ų
H-Bond Donors19
H-Bond Acceptors36
Rotatable Bonds32
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002444.28
LogP ≤ 524.67
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1036

Analyze N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide with MolForge

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Related Compounds

5-tert-butyl-N-methyl-1,2-oxazol-3-amine;bis(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);3-(methylamino)benzonitrile;N-methyl-1,3-benzothiazol-6-amine;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 157379786
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-methylfuran-3-amine;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 157652055
N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
CID 157813011
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
CID 159779485
N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 160073822
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 160092194
N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;3-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylaniline;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 160954482
5-tert-butyl-N-methyl-1,2-oxazol-3-amine;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;tris(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-pyridin-4-ylaniline;bis(N-methyl-3-(1,3-thiazol-4-yl)aniline);N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
CID 161071656
N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;cyclopentyl-[2-(methylamino)-4-pyridinyl]methanone;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-morpholin-4-ylmethanone;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide
CID 162105493

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide (CID 160762198) is N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide is C.C.C.C.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cc(C(=O)N(C)C)cc(C)n1.CNc1cc(C(=O)N2CCCC2)cc(C)n1.CNc1cc(C2CC2)nn1C.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC(C)C)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1.CNc1ccon1.
What is the InChIKey of N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is RYFCUEIBTPSCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O.2C12H16N2O.2C12H18N2O.C10H12N4O.C10H15N3O.C10H10N2S.C9H10N4.2C9H12N2O.C8H13N3.C4H6N2O.4CH4/c1-9-7-10(8-11(13-2)14-9)12(16)15-5-3-4-6-15;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-9(2)8-14-12(15)10-5-4-6-11(7-10)13-3;1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-7-5-8(10(14)13(3)4)6-9(11-2)12-7;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2;1-9-8-5-7(6-3-4-6)10-11(8)2;1-5-4-2-3-7-6-4;;;;/h7-8H,3-6H2,1-2H3,(H,13,14);2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;4-7,9,13H,8H2,1-3H3,(H,14,15);3-6,11H,1-2H3,(H,12,13,14);5-6H,1-4H3,(H,11,12);2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12);5-6,9H,3-4H2,1-2H3;2-3H,1H3,(H,5,6);4*1H4.
What are the key properties of N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide?
N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 2444.28 g/mol, XLogP of 24.67, 32 rotatable bonds, 19 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(methylamino)benzamide;3-cyclopropyl-N,1-dimethylpyrazol-5-amine;N-(cyclopropylmethyl)-3-(methylamino)benzamide;methane;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine;N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;[2-methyl-6-(methylamino)-4-pyridinyl]-pyrrolidin-1-ylmethanone;N-methyl-1,2-oxazol-3-amine;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline;N,N,2-trimethyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 160762198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).