4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine

C139H161N15O10S — CID 158366593

IUPAC4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cn1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cn1.CC(C)c1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1.CC(C)c1cccc[n+]1[O-].CC(C)c1cnc(N)nc1.CC(C)c1cncc(C(N)=O)c1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.Cc1nc2cc(C(C)C)ccc2s1
InChIInChI=1S/C23H21NO2.C22H20N2O2.C16H16O.C15H15NO.C11H13NS.C10H16N2.C9H12N2O.2C9H13NO.C8H11NO.C7H11N3/c1-16(2)20-9-6-10-21(15-20)24-23(26)19-13-11-18(12-14-19)22(25)17-7-4-3-5-8-17;1-15(2)20-13-12-19(14-23-20)24-22(26)18-10-8-17(9-11-18)21(25)16-6-4-3-5-7-16;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-11(2)14-9-8-13(10-16-14)15(17)12-6-4-3-5-7-12;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-8(2)9-5-6-10(11-7-9)12(3)4;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-3-4-6-9(8)10;1-5(2)6-3-9-7(8)10-4-6/h3-16H,1-2H3,(H,24,26);3-15H,1-2H3,(H,24,26);3-12H,1-2H3;3-11H,1-2H3;4-7H,1-3H3;5-8H,1-4H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyGUCJMNLKDGFUQI-UHFFFAOYSA-N
MW2233.98 g/mol
LogP31.81
Rot. Bonds27

About 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine

4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine (PubChem CID 158366593) has the molecular formula C139H161N15O10S and a molecular weight of 2233.98 g/mol. Its IUPAC name is 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine
PubChem CID158366593
Molecular FormulaC139H161N15O10S
Molecular Weight2233.98 g/mol
Exact Mass2232.23
IUPAC Name4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine
SMILESCC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cn1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cn1.CC(C)c1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1.CC(C)c1cccc[n+]1[O-].CC(C)c1cnc(N)nc1.CC(C)c1cncc(C(N)=O)c1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.Cc1nc2cc(C(C)C)ccc2s1
InChIInChI=1S/C23H21NO2.C22H20N2O2.C16H16O.C15H15NO.C11H13NS.C10H16N2.C9H12N2O.2C9H13NO.C8H11NO.C7H11N3/c1-16(2)20-9-6-10-21(15-20)24-23(26)19-13-11-18(12-14-19)22(25)17-7-4-3-5-8-17;1-15(2)20-13-12-19(14-23-20)24-22(26)18-10-8-17(9-11-18)21(25)16-6-4-3-5-7-16;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-11(2)14-9-8-13(10-16-14)15(17)12-6-4-3-5-7-12;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-8(2)9-5-6-10(11-7-9)12(3)4;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-3-4-6-9(8)10;1-5(2)6-3-9-7(8)10-4-6/h3-16H,1-2H3,(H,24,26);3-15H,1-2H3,(H,24,26);3-12H,1-2H3;3-11H,1-2H3;4-7H,1-3H3;5-8H,1-4H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyGUCJMNLKDGFUQI-UHFFFAOYSA-N
XLogP31.81
TPSA360.24 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002233.98
LogP ≤ 531.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-azido-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;5-fluoro-2-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methoxy-6-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;3-methyl-5-propan-2-ylpyridin-2-amine;2-methyl-5-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridin-2-amine;6-propan-2-ylpyridin-2-amine;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine;2-propan-2-yl-5-(trifluoromethyl)pyridine
CID 159879175
4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(5-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;5-methyl-2-propan-2-ylpyridine;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine
CID 157062254
8-(5,6-dimethyl-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(5-methoxy-3-pyridinyl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methylpyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 157703202
6-[[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutanecarbonyl]amino]pyridine-3-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)cyclobutane-1-carboxamide;1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenyl-2-pyridinyl)cyclobutane-1-carboxamide;1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]cyclobutane-1-carboxamide;N-(5-phenoxy-2-pyridinyl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]cyclobutane-1-carboxamide
CID 159192595
1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-[5-(5-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;1-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-2-pyridin-2-ylethanone;4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(6-methoxy-3-pyridinyl)oxane-4-carboxamide;1-[4-[4-(2-aminopyrimidin-5-yl)phenyl]oxan-4-yl]-2-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]ethanone;4-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]-N-[5-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]oxane-4-carboxamide
CID 162116486

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine (CID 158366593) is 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine is CC(C)c1ccc(C(=O)c2ccccc2)cc1.CC(C)c1ccc(C(=O)c2ccccc2)cn1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)cn1.CC(C)c1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1.CC(C)c1cccc[n+]1[O-].CC(C)c1cnc(N)nc1.CC(C)c1cncc(C(N)=O)c1.COc1ccc(C(C)C)cn1.COc1ccc(C(C)C)nc1.Cc1nc2cc(C(C)C)ccc2s1.
What is the InChIKey of 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine?
The InChIKey is GUCJMNLKDGFUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2.C22H20N2O2.C16H16O.C15H15NO.C11H13NS.C10H16N2.C9H12N2O.2C9H13NO.C8H11NO.C7H11N3/c1-16(2)20-9-6-10-21(15-20)24-23(26)19-13-11-18(12-14-19)22(25)17-7-4-3-5-8-17;1-15(2)20-13-12-19(14-23-20)24-22(26)18-10-8-17(9-11-18)21(25)16-6-4-3-5-7-16;1-12(2)13-8-10-15(11-9-13)16(17)14-6-4-3-5-7-14;1-11(2)14-9-8-13(10-16-14)15(17)12-6-4-3-5-7-12;1-7(2)9-4-5-11-10(6-9)12-8(3)13-11;1-8(2)9-5-6-10(11-7-9)12(3)4;1-6(2)7-3-8(9(10)12)5-11-4-7;1-7(2)9-5-4-8(11-3)6-10-9;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-3-4-6-9(8)10;1-5(2)6-3-9-7(8)10-4-6/h3-16H,1-2H3,(H,24,26);3-15H,1-2H3,(H,24,26);3-12H,1-2H3;3-11H,1-2H3;4-7H,1-3H3;5-8H,1-4H3;3-6H,1-2H3,(H2,10,12);2*4-7H,1-3H3;3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine?
4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine has a molecular weight of 2233.98 g/mol, XLogP of 31.81, 27 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(3-propan-2-ylphenyl)benzamide;4-benzoyl-N-(6-propan-2-yl-3-pyridinyl)benzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-methoxy-5-propan-2-ylpyridine;5-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-benzothiazole;1-oxido-2-propan-2-ylpyridin-1-ium;phenyl-(4-propan-2-ylphenyl)methanone;phenyl-(6-propan-2-yl-3-pyridinyl)methanone;5-propan-2-ylpyridine-3-carboxamide;5-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 158366593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).