N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide

C32H36N4O3 — CID 10208421

IUPACN-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)(CC2C=Nc3ccccc32)C(=O)NCC2(c3ccccn3)CCCCC2)c1
InChIInChI=1S/C32H36N4O3/c1-31(20-24-21-34-27-14-5-4-13-26(24)27,36-29(37)23-11-10-12-25(19-23)39-2)30(38)35-22-32(16-7-3-8-17-32)28-15-6-9-18-33-28/h4-6,9-15,18-19,21,24H,3,7-8,16-17,20,22H2,1-2H3,(H,35,38)(H,36,37)
InChIKeyIIATVDCWFRUXBB-UHFFFAOYSA-N
MW524.67 g/mol
LogP5.49
Rot. Bonds9

About N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide

N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide (PubChem CID 10208421) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide
PubChem CID10208421
Molecular FormulaC32H36N4O3
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC NameN-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)(CC2C=Nc3ccccc32)C(=O)NCC2(c3ccccn3)CCCCC2)c1
InChIInChI=1S/C32H36N4O3/c1-31(20-24-21-34-27-14-5-4-13-26(24)27,36-29(37)23-11-10-12-25(19-23)39-2)30(38)35-22-32(16-7-3-8-17-32)28-15-6-9-18-33-28/h4-6,9-15,18-19,21,24H,3,7-8,16-17,20,22H2,1-2H3,(H,35,38)(H,36,37)
InChIKeyIIATVDCWFRUXBB-UHFFFAOYSA-N
XLogP5.49
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methylthiophene-2-carboxamide
CID 10118576
N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-4-nitrobenzamide
CID 10143582
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methoxybenzamide
CID 103969532
(2S)-3-(1H-indol-3-yl)-2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]-N-[(1-pyridin-2-ylcyclohexyl)methyl]propanamide
CID 10279737
N-[2-[(1-hydroxycyclohexanecarbonyl)amino]ethyl]-3-methoxybenzamide
CID 122150789
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methoxybenzamide;hydrochloride
CID 20994999
3-methoxy-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 840468
N-[(2S)-2-(1H-indol-2-yl)-2-methyl-3-oxo-3-[(1-pyridin-2-ylcyclohexyl)methylamino]propyl]-1H-indole-2-carboxamide
CID 10230338
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258

Frequently Asked Questions

What is the IUPAC name of N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide (CID 10208421) is N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC(C)(CC2C=Nc3ccccc32)C(=O)NCC2(c3ccccn3)CCCCC2)c1.
What is the InChIKey of N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide?
The InChIKey is IIATVDCWFRUXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-31(20-24-21-34-27-14-5-4-13-26(24)27,36-29(37)23-11-10-12-25(19-23)39-2)30(38)35-22-32(16-7-3-8-17-32)28-15-6-9-18-33-28/h4-6,9-15,18-19,21,24H,3,7-8,16-17,20,22H2,1-2H3,(H,35,38)(H,36,37).
What are the key properties of N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide?
N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide has a molecular weight of 524.67 g/mol, XLogP of 5.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3H-indol-3-yl)-2-methyl-1-oxo-1-[(1-pyridin-2-ylcyclohexyl)methylamino]propan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 10208421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).