1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide

C21H17N3O2 — CID 71934158

IUPAC1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H17N3O2/c25-20(23-19-10-4-9-18-16(19)11-12-22-18)17-8-5-13-24(21(17)26)14-15-6-2-1-3-7-15/h1-13,22H,14H2,(H,23,25)
InChIKeyJCIODIJLJRGFDT-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.63
Rot. Bonds4

About 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide

1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide (PubChem CID 71934158) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide
PubChem CID71934158
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C21H17N3O2/c25-20(23-19-10-4-9-18-16(19)11-12-22-18)17-8-5-13-24(21(17)26)14-15-6-2-1-3-7-15/h1-13,22H,14H2,(H,23,25)
InChIKeyJCIODIJLJRGFDT-UHFFFAOYSA-N
XLogP3.63
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2,3-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 7422695
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717
2-fluoro-N-(1H-indol-4-yl)benzamide
CID 110730909
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
N-(1H-indol-4-yl)-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 56763575
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
CID 26843761
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033
N-(1H-indol-4-yl)-1H-indole-7-carboxamide
CID 112526402
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
1-[(4-chlorophenyl)methyl]-N-(2-cyanophenyl)-2-oxopyridine-3-carboxamide
CID 7598034

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide (CID 71934158) is 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide is O=C(Nc1cccc2[nH]ccc12)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide?
The InChIKey is JCIODIJLJRGFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-20(23-19-10-4-9-18-16(19)11-12-22-18)17-8-5-13-24(21(17)26)14-15-6-2-1-3-7-15/h1-13,22H,14H2,(H,23,25).
What are the key properties of 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide?
1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 71934158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).