1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide

C22H19N3O — CID 11056970

IUPAC1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)n1
InChIInChI=1S/C22H19N3O/c1-16-8-7-13-21(23-16)24-22(26)20-14-18-11-5-6-12-19(18)25(20)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24,26)
InChIKeyLHYXEZARUASGKU-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.65
Rot. Bonds4

About 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide

1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide (PubChem CID 11056970) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
PubChem CID11056970
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)n1
InChIInChI=1S/C22H19N3O/c1-16-8-7-13-21(23-16)24-22(26)20-14-18-11-5-6-12-19(18)25(20)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24,26)
InChIKeyLHYXEZARUASGKU-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
4-[[(1-benzylindole-2-carbonyl)amino]methyl]-1-methylpyrazole-5-carboxylic acid
CID 167919345
1-benzyl-N-[(3-bromophenyl)methyl]indole-2-carboxamide
CID 51361856
1-benzyl-N-(1-hydroxypropan-2-yl)indole-2-carboxamide
CID 78888011
1-benzyl-N-[(4-methylsulfonylphenyl)methyl]indole-2-carboxamide
CID 60511957
S-[4-[(1-benzylindole-2-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56544298
2-[(1-benzylindole-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68972273
1-benzyl-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
CID 45494520
(2S)-2-[(1-benzylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 91639240
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
1-benzyl-N-[3-(cyanomethoxy)phenyl]indole-2-carboxamide
CID 55799975

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide (CID 11056970) is 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide is Cc1cccc(NC(=O)c2cc3ccccc3n2Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide?
The InChIKey is LHYXEZARUASGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-16-8-7-13-21(23-16)24-22(26)20-14-18-11-5-6-12-19(18)25(20)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,23,24,26).
What are the key properties of 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide?
1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-methyl-2-pyridinyl)indole-2-carboxamide is sourced from PubChem (CID 11056970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).