4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

C22H21N3O — CID 109210211

IUPAC4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(N3CCc4ccccc43)ccn2)c1
InChIInChI=1S/C22H21N3O/c1-16-5-4-6-17(13-16)15-24-22(26)20-14-19(9-11-23-20)25-12-10-18-7-2-3-8-21(18)25/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)
InChIKeyLMGJBOSZWCQHDS-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.01
Rot. Bonds4

About 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide

4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109210211) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109210211
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(N3CCc4ccccc43)ccn2)c1
InChIInChI=1S/C22H21N3O/c1-16-5-4-6-17(13-16)15-24-22(26)20-14-19(9-11-23-20)25-12-10-18-7-2-3-8-21(18)25/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26)
InChIKeyLMGJBOSZWCQHDS-UHFFFAOYSA-N
XLogP4.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400
N-[(3-methylphenyl)methyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109210191
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118401
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109203323
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109085689
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109085832
6-(2,3-dihydroindol-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369066
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205740
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyrimidin-2-amine
CID 112890188

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide (CID 109210211) is 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is Cc1cccc(CNC(=O)c2cc(N3CCc4ccccc43)ccn2)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is LMGJBOSZWCQHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-5-4-6-17(13-16)15-24-22(26)20-14-19(9-11-23-20)25-12-10-18-7-2-3-8-21(18)25/h2-9,11,13-14H,10,12,15H2,1H3,(H,24,26).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide?
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109210211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).