3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

C23H19ClN4O2 — CID 46391849

IUPAC3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3ccccn3)c(NC(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C23H19ClN4O2/c1-14-5-10-19-18(12-14)20(28-22(29)15-6-8-16(24)9-7-15)21(27-19)23(30)26-13-17-4-2-3-11-25-17/h2-12,27H,13H2,1H3,(H,26,30)(H,28,29)
InChIKeyRNSPFYMADDSHMP-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.71
Rot. Bonds5

About 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide

3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 46391849) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
PubChem CID46391849
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3ccccn3)c(NC(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C23H19ClN4O2/c1-14-5-10-19-18(12-14)20(28-22(29)15-6-8-16(24)9-7-15)21(27-19)23(30)26-13-17-4-2-3-11-25-17/h2-12,27H,13H2,1H3,(H,26,30)(H,28,29)
InChIKeyRNSPFYMADDSHMP-UHFFFAOYSA-N
XLogP4.71
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391803
3-[(4-chlorobenzoyl)amino]-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 46391875
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
4-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391863
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
1-N-(pyridin-2-ylmethyl)-3-N-(2,4,6-trimethylphenyl)benzene-1,3-dicarboxamide
CID 109055004
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46109251
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
4-N-(3,4-dimethylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047561
3-benzamido-5-fluoro-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 50765509

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide (CID 46391849) is 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCc3ccccn3)c(NC(=O)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is RNSPFYMADDSHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-14-5-10-19-18(12-14)20(28-22(29)15-6-8-16(24)9-7-15)21(27-19)23(30)26-13-17-4-2-3-11-25-17/h2-12,27H,13H2,1H3,(H,26,30)(H,28,29).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide?
3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 418.88 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-5-methyl-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 46391849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).