4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide

C23H21N3O — CID 86963672

IUPAC4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC(c3ccccc3)c3ccccn3)cc2c1C
InChIInChI=1S/C23H21N3O/c1-15-11-12-19-18(16(15)2)14-21(25-19)23(27)26-22(17-8-4-3-5-9-17)20-10-6-7-13-24-20/h3-14,22,25H,1-2H3,(H,26,27)
InChIKeyHMJSICNMVQHQCG-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.70
Rot. Bonds4

About 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide

4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 86963672) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
PubChem CID86963672
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NC(c3ccccc3)c3ccccn3)cc2c1C
InChIInChI=1S/C23H21N3O/c1-15-11-12-19-18(16(15)2)14-21(25-19)23(27)26-22(17-8-4-3-5-9-17)20-10-6-7-13-24-20/h3-14,22,25H,1-2H3,(H,26,27)
InChIKeyHMJSICNMVQHQCG-UHFFFAOYSA-N
XLogP4.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-4-methyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51939981
4,6-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]-1H-indole-2-carboxamide
CID 38432063
4-acetyl-3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 36947323
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
(2S,3S)-2-[(4,5-dimethyl-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194097
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 78779504
methyl 2-ethyl-4-methyl-5-[[phenyl(pyridin-2-yl)methyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 46554484
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide (CID 86963672) is 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NC(c3ccccc3)c3ccccn3)cc2c1C.
What is the InChIKey of 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is HMJSICNMVQHQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15-11-12-19-18(16(15)2)14-21(25-19)23(27)26-22(17-8-4-3-5-9-17)20-10-6-7-13-24-20/h3-14,22,25H,1-2H3,(H,26,27).
What are the key properties of 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide?
4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 86963672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).