1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C18H18ClN3O2 — CID 42863485

IUPAC1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3ccccn3)C2=O)ccc1Cl
InChIInChI=1S/C18H18ClN3O2/c1-12-10-14(5-6-16(12)19)22-9-7-15(18(22)24)17(23)21-11-13-4-2-3-8-20-13/h2-6,8,10,15H,7,9,11H2,1H3,(H,21,23)
InChIKeyJQNVXQSUEGCHCB-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 42863485) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID42863485
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CCC(C(=O)NCc3ccccn3)C2=O)ccc1Cl
InChIInChI=1S/C18H18ClN3O2/c1-12-10-14(5-6-16(12)19)22-9-7-15(18(22)24)17(23)21-11-13-4-2-3-8-20-13/h2-6,8,10,15H,7,9,11H2,1H3,(H,21,23)
InChIKeyJQNVXQSUEGCHCB-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3-chloro-4-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 92985896
(3R)-1-(4-chlorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93059075
1-(4-chlorophenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 46048881
1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 42853829
(3R)-1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 92986922
1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46048874
1-(3-chloro-4-methylphenyl)-N-(furan-2-ylmethyl)-2-oxopyrrolidine-3-carboxamide
CID 46048595
1-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 110902862
(3S)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 25348516
2-oxo-1-(4-phenoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 42853656
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 136545228
N-benzyl-1-(3,5-dimethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 46048610

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 42863485) is 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1cc(N2CCC(C(=O)NCc3ccccn3)C2=O)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is JQNVXQSUEGCHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-12-10-14(5-6-16(12)19)22-9-7-15(18(22)24)17(23)21-11-13-4-2-3-8-20-13/h2-6,8,10,15H,7,9,11H2,1H3,(H,21,23).
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42863485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).