N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide

C123H170F2N18O19S4 — CID 158337828

IUPACN-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1cc(C(C)C)cnc1OC.CC(C)c1cncc(CS(=O)(=O)C(C)C)c1.CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.CC(C)c1cncc(CS(=O)(=O)c2ccc(F)cc2F)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCCNC(=O)c1cncc(C(C)C)c1.CCNC(=O)c1cncc(C(C)C)c1.COc1ncc(C(C)C)cc1C(=O)NC1CCOC1.COc1ncc(C(C)C)cc1C(=O)NCC#N.COc1ncc(C(C)C)cc1C(=O)NCC1CC1
InChIInChI=1S/C15H15F2NO2S.C14H20N2O3.C14H20N2O2.C13H16N2O2.C12H15N3O2.C12H18N2O.C12H19NO2S.C11H18N2O2S.C11H16N2O.C9H13NO2S/c1-10(2)12-5-11(7-18-8-12)9-21(19,20)15-4-3-13(16)6-14(15)17;1-9(2)10-6-12(14(18-3)15-7-10)13(17)16-11-4-5-19-8-11;1-9(2)11-6-12(14(18-3)16-8-11)13(17)15-7-10-4-5-10;1-5-6-14-12(16)11-7-10(9(2)3)8-15-13(11)17-4;1-8(2)9-6-10(11(16)14-5-4-13)12(17-3)15-7-9;1-4-5-14-12(15)11-6-10(9(2)3)7-13-8-11;1-9(2)12-5-11(6-13-7-12)8-16(14,15)10(3)4;1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4;1-4-13-11(14)10-5-9(8(2)3)6-12-7-10;1-7(2)8-4-9(6-10-5-8)13(3,11)12/h3-8,10H,9H2,1-2H3;6-7,9,11H,4-5,8H2,1-3H3,(H,16,17);6,8-10H,4-5,7H2,1-3H3,(H,15,17);1,7-9H,6H2,2-4H3,(H,14,16);6-8H,5H2,1-3H3,(H,14,16);6-9H,4-5H2,1-3H3,(H,14,15);5-7,9-10H,8H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,4H2,1-3H3,(H,13,14);4-7H,1-3H3
InChIKeyGQULCGZDAHWGAR-UHFFFAOYSA-N
MW2371.08 g/mol
LogP20.62
Rot. Bonds38

About N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide

N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide (PubChem CID 158337828) has the molecular formula C123H170F2N18O19S4 and a molecular weight of 2371.08 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide
PubChem CID158337828
Molecular FormulaC123H170F2N18O19S4
Molecular Weight2371.08 g/mol
Exact Mass2369.17
IUPAC NameN-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1cc(C(C)C)cnc1OC.CC(C)c1cncc(CS(=O)(=O)C(C)C)c1.CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.CC(C)c1cncc(CS(=O)(=O)c2ccc(F)cc2F)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCCNC(=O)c1cncc(C(C)C)c1.CCNC(=O)c1cncc(C(C)C)c1.COc1ncc(C(C)C)cc1C(=O)NC1CCOC1.COc1ncc(C(C)C)cc1C(=O)NCC#N.COc1ncc(C(C)C)cc1C(=O)NCC1CC1
InChIInChI=1S/C15H15F2NO2S.C14H20N2O3.C14H20N2O2.C13H16N2O2.C12H15N3O2.C12H18N2O.C12H19NO2S.C11H18N2O2S.C11H16N2O.C9H13NO2S/c1-10(2)12-5-11(7-18-8-12)9-21(19,20)15-4-3-13(16)6-14(15)17;1-9(2)10-6-12(14(18-3)15-7-10)13(17)16-11-4-5-19-8-11;1-9(2)11-6-12(14(18-3)16-8-11)13(17)15-7-10-4-5-10;1-5-6-14-12(16)11-7-10(9(2)3)8-15-13(11)17-4;1-8(2)9-6-10(11(16)14-5-4-13)12(17-3)15-7-9;1-4-5-14-12(15)11-6-10(9(2)3)7-13-8-11;1-9(2)12-5-11(6-13-7-12)8-16(14,15)10(3)4;1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4;1-4-13-11(14)10-5-9(8(2)3)6-12-7-10;1-7(2)8-4-9(6-10-5-8)13(3,11)12/h3-8,10H,9H2,1-2H3;6-7,9,11H,4-5,8H2,1-3H3,(H,16,17);6,8-10H,4-5,7H2,1-3H3,(H,15,17);1,7-9H,6H2,2-4H3,(H,14,16);6-8H,5H2,1-3H3,(H,14,16);6-9H,4-5H2,1-3H3,(H,14,15);5-7,9-10H,8H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,4H2,1-3H3,(H,13,14);4-7H,1-3H3
InChIKeyGQULCGZDAHWGAR-UHFFFAOYSA-N
XLogP20.62
TPSA513.24 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002371.08
LogP ≤ 520.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide (CID 158337828) is N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide is C#CCNC(=O)c1cc(C(C)C)cnc1OC.CC(C)c1cncc(CS(=O)(=O)C(C)C)c1.CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.CC(C)c1cncc(CS(=O)(=O)c2ccc(F)cc2F)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCCNC(=O)c1cncc(C(C)C)c1.CCNC(=O)c1cncc(C(C)C)c1.COc1ncc(C(C)C)cc1C(=O)NC1CCOC1.COc1ncc(C(C)C)cc1C(=O)NCC#N.COc1ncc(C(C)C)cc1C(=O)NCC1CC1.
What is the InChIKey of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide?
The InChIKey is GQULCGZDAHWGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2S.C14H20N2O3.C14H20N2O2.C13H16N2O2.C12H15N3O2.C12H18N2O.C12H19NO2S.C11H18N2O2S.C11H16N2O.C9H13NO2S/c1-10(2)12-5-11(7-18-8-12)9-21(19,20)15-4-3-13(16)6-14(15)17;1-9(2)10-6-12(14(18-3)15-7-10)13(17)16-11-4-5-19-8-11;1-9(2)11-6-12(14(18-3)16-8-11)13(17)15-7-10-4-5-10;1-5-6-14-12(16)11-7-10(9(2)3)8-15-13(11)17-4;1-8(2)9-6-10(11(16)14-5-4-13)12(17-3)15-7-9;1-4-5-14-12(15)11-6-10(9(2)3)7-13-8-11;1-9(2)12-5-11(6-13-7-12)8-16(14,15)10(3)4;1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4;1-4-13-11(14)10-5-9(8(2)3)6-12-7-10;1-7(2)8-4-9(6-10-5-8)13(3,11)12/h3-8,10H,9H2,1-2H3;6-7,9,11H,4-5,8H2,1-3H3,(H,16,17);6,8-10H,4-5,7H2,1-3H3,(H,15,17);1,7-9H,6H2,2-4H3,(H,14,16);6-8H,5H2,1-3H3,(H,14,16);6-9H,4-5H2,1-3H3,(H,14,15);5-7,9-10H,8H2,1-4H3;5-7,9H,8H2,1-4H3;5-8H,4H2,1-3H3,(H,13,14);4-7H,1-3H3.
What are the key properties of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide?
N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide has a molecular weight of 2371.08 g/mol, XLogP of 20.62, 38 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-(cyclopropylmethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-[(2,4-difluorophenyl)sulfonylmethyl]-5-propan-2-ylpyridine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;N-ethyl-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-N-(oxolan-3-yl)-5-propan-2-ylpyridine-3-carboxamide;2-methoxy-5-propan-2-yl-N-prop-2-ynylpyridine-3-carboxamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine;5-propan-2-yl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 158337828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).