N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C18H18ClN3O2 — CID 71995121

IUPACN-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-12-2-4-13(5-3-12)11-22-15(7-9-17(22)23)18(24)21-16-8-6-14(19)10-20-16/h2-6,8,10,15H,7,9,11H2,1H3,(H,20,21,24)
InChIKeyUPGRIJNHUMTNTB-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.17
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 71995121) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID71995121
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(CN2C(=O)CCC2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-12-2-4-13(5-3-12)11-22-15(7-9-17(22)23)18(24)21-16-8-6-14(19)10-20-16/h2-6,8,10,15H,7,9,11H2,1H3,(H,20,21,24)
InChIKeyUPGRIJNHUMTNTB-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 71987288
2-[3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125154053
(2S)-1-[(4-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 100815825
(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 124514063
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
cis-(1S,3R)-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676508
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 126784134
N-(2,3-dimethylcyclohexyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 5092740
(2R)-1-[(4-methylphenyl)methyl]-5-oxo-N-prop-2-enylsulfonylpyrrolidine-2-carboxamide
CID 124514016
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
2-[4-[[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698405

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 71995121) is N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is Cc1ccc(CN2C(=O)CCC2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UPGRIJNHUMTNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-12-2-4-13(5-3-12)11-22-15(7-9-17(22)23)18(24)21-16-8-6-14(19)10-20-16/h2-6,8,10,15H,7,9,11H2,1H3,(H,20,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71995121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).