1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide

C24H25N3O — CID 156611571

IUPAC1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CN(Cc3ccccc3)CC2c2ccncc2)c1
InChIInChI=1S/C24H25N3O/c1-18-6-5-9-21(14-18)26-24(28)23-17-27(15-19-7-3-2-4-8-19)16-22(23)20-10-12-25-13-11-20/h2-14,22-23H,15-17H2,1H3,(H,26,28)
InChIKeyLNFWDEAWHJONQR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.24
Rot. Bonds5

About 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide

1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 156611571) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID156611571
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CN(Cc3ccccc3)CC2c2ccncc2)c1
InChIInChI=1S/C24H25N3O/c1-18-6-5-9-21(14-18)26-24(28)23-17-27(15-19-7-3-2-4-8-19)16-22(23)20-10-12-25-13-11-20/h2-14,22-23H,15-17H2,1H3,(H,26,28)
InChIKeyLNFWDEAWHJONQR-UHFFFAOYSA-N
XLogP4.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-benzyl-4-phenyl-N-(3-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide
CID 156839438
(3S,4S)-1-benzyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124708767
(3S,4R)-N-(3-ethylphenyl)-1-methylsulfonyl-4-pyridin-4-ylpyrrolidine-3-carboxamide
CID 91912832
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
methyl (3R,4S)-1-benzyl-4-(2,4-dimethylphenyl)pyrrolidine-3-carboxylate
CID 143041398
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxylic acid
CID 12922299
1-benzyl-4-(3-chlorophenyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 117073630
(1R,5S,6S)-3-[(3-methylphenyl)methyl]-N-pyridin-3-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155900958
(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)-N-(methoxymethyl)pyrrolidine-3-carboxamide
CID 67131465
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
N-[3-[[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]methyl]phenyl]acetamide
CID 120762205
cis-(1R,2S)-N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenylcyclopropane-1-carboxamide
CID 51699063

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide (CID 156611571) is 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide is Cc1cccc(NC(=O)C2CN(Cc3ccccc3)CC2c2ccncc2)c1.
What is the InChIKey of 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is LNFWDEAWHJONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-18-6-5-9-21(14-18)26-24(28)23-17-27(15-19-7-3-2-4-8-19)16-22(23)20-10-12-25-13-11-20/h2-14,22-23H,15-17H2,1H3,(H,26,28).
What are the key properties of 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide?
1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methylphenyl)-4-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 156611571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).