1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

C24H23N3O2 — CID 51152076

IUPAC1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(c3ccccc3)c3ccccn3)CC2=O)cc1
InChIInChI=1S/C24H23N3O2/c1-17-10-12-20(13-11-17)27-16-19(15-22(27)28)24(29)26-23(18-7-3-2-4-8-18)21-9-5-6-14-25-21/h2-14,19,23H,15-16H2,1H3,(H,26,29)
InChIKeyMNCUBMRBTWXZEV-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide

1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 51152076) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID51152076
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)NC(c3ccccc3)c3ccccn3)CC2=O)cc1
InChIInChI=1S/C24H23N3O2/c1-17-10-12-20(13-11-17)27-16-19(15-22(27)28)24(29)26-23(18-7-3-2-4-8-18)21-9-5-6-14-25-21/h2-14,19,23H,15-16H2,1H3,(H,26,29)
InChIKeyMNCUBMRBTWXZEV-UHFFFAOYSA-N
XLogP3.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081987
(3S)-N-[(1R)-1,2-diphenylethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017432
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 16557109
N-benzhydryl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080682
(3S)-1-(4-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 1088260
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3R)-5-oxo-1-phenyl-N-[(1R)-1-phenylpropyl]pyrrolidine-3-carboxamide
CID 26365378
(3S)-N-(2-chlorophenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 715111
(3R)-N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39348196
1-(2,3-dihydro-1H-inden-5-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587285
(2R)-2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 39889994

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide (CID 51152076) is 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)NC(c3ccccc3)c3ccccn3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is MNCUBMRBTWXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-17-10-12-20(13-11-17)27-16-19(15-22(27)28)24(29)26-23(18-7-3-2-4-8-18)21-9-5-6-14-25-21/h2-14,19,23H,15-16H2,1H3,(H,26,29).
What are the key properties of 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide?
1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-oxo-N-[phenyl(pyridin-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51152076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).