6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide

C24H25N3O2 — CID 55850238

IUPAC6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)c(=O)[nH]2)c1
InChIInChI=1S/C24H25N3O2/c1-17-5-4-6-19(15-17)22-12-11-21(24(29)26-22)23(28)25-16-18-7-9-20(10-8-18)27-13-2-3-14-27/h4-12,15H,2-3,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMLMCLMALQUPXRF-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.88
Rot. Bonds5

About 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide

6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 55850238) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
PubChem CID55850238
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)c(=O)[nH]2)c1
InChIInChI=1S/C24H25N3O2/c1-17-5-4-6-19(15-17)22-12-11-21(24(29)26-22)23(28)25-16-18-7-9-20(10-8-18)27-13-2-3-14-27/h4-12,15H,2-3,13-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMLMCLMALQUPXRF-UHFFFAOYSA-N
XLogP3.88
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

6-(3-methylphenyl)-2-oxo-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 55766212
4-bromo-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55851395
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
4-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839777
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71685809
3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1,2-thiazole-4-carboxamide
CID 154837608
N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 95633524
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66502679
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 56524024
methyl 4-[[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 71886102
N-(2-anilino-3-methylbutyl)-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55793926

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide (CID 55850238) is 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide is Cc1cccc(-c2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is MLMCLMALQUPXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-5-4-6-19(15-17)22-12-11-21(24(29)26-22)23(28)25-16-18-7-9-20(10-8-18)27-13-2-3-14-27/h4-12,15H,2-3,13-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide?
6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 55850238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).