1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

C26H31N3O3 — CID 71715065

IUPAC1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)n(C(C)C(=O)C3CCCC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H31N3O3/c1-15-13-16(2)28-25(31)21(15)14-27-26(32)23-17(3)29(22-12-8-7-11-20(22)23)18(4)24(30)19-9-5-6-10-19/h7-8,11-13,18-19H,5-6,9-10,14H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyLMDFYKKIHAIUOA-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.51
Rot. Bonds6

About 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide

1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (PubChem CID 71715065) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
PubChem CID71715065
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)n(C(C)C(=O)C3CCCC3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H31N3O3/c1-15-13-16(2)28-25(31)21(15)14-27-26(32)23-17(3)29(22-12-8-7-11-20(22)23)18(4)24(30)19-9-5-6-10-19/h7-8,11-13,18-19H,5-6,9-10,14H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyLMDFYKKIHAIUOA-UHFFFAOYSA-N
XLogP4.51
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide with MolForge

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-propan-2-ylindole-3-carboxamide
CID 122186508
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide
CID 71661182
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-2-methylindole-3-carboxamide
CID 122186509
1-[(1S)-1-[1-(azetidin-3-yl)piperidin-4-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;hydrochloride
CID 126736254
1-(1-cyclohexylethyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144683606
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-[4-[(3-methyloxetan-3-yl)amino]cyclohexyl]ethyl]indole-3-carboxamide
CID 142589863
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[iodo-[(4S)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-methylindole-3-carboxamide
CID 145138213
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(1S)-1-[1-[2-[(5-ethyl-3-methylideneheptanoyl)amino]ethyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
CID 155247721
2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
CID 71715864
1-[(1R)-1-(1-cyanopiperidin-4-yl)ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 163286254
1-[1-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 123426448
1-[1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 166666466

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The IUPAC name of 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide (CID 71715065) is 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The canonical SMILES for 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)C(=O)C3CCCC3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
The InChIKey is LMDFYKKIHAIUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-15-13-16(2)28-25(31)21(15)14-27-26(32)23-17(3)29(22-12-8-7-11-20(22)23)18(4)24(30)19-9-5-6-10-19/h7-8,11-13,18-19H,5-6,9-10,14H2,1-4H3,(H,27,32)(H,28,31).
What are the key properties of 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide?
1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 71715065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).