N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide

C26H27N3O2 — CID 71661182

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyUVKHXUWVSLZMMY-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.79
Rot. Bonds5

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide (PubChem CID 71661182) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide
PubChem CID71661182
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2c(C)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1
InChIInChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyUVKHXUWVSLZMMY-UHFFFAOYSA-N
XLogP4.79
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-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
2-cyano-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indole-3-carboxamide
CID 71715864
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(2R)-1-methoxypropan-2-yl]-2-methylindole-3-carboxamide
CID 122186509
1-(1-cyclopentyl-1-oxopropan-2-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 71715065
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
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 162163581
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
1-(1-methoxypropan-2-yl)-2-methyl-N-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]indole-3-carboxamide
CID 166666396
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
1-(1-cyclohexylethyl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
CID 144683606
(3S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-phenylbutanamide
CID 27170074
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

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide (CID 71661182) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)c3ccccc3)c3ccccc23)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide?
The InChIKey is UVKHXUWVSLZMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-16-14-17(2)28-25(30)22(16)15-27-26(31)24-19(4)29(23-13-9-8-12-21(23)24)18(3)20-10-6-5-7-11-20/h5-14,18H,15H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-phenylethyl)indole-3-carboxamide is sourced from PubChem (CID 71661182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).