1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C18H18FN3O2 — CID 42853829

IUPAC1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(F)c(N2CCC(C(=O)NCc3ccccn3)C2=O)c1
InChIInChI=1S/C18H18FN3O2/c1-12-5-6-15(19)16(10-12)22-9-7-14(18(22)24)17(23)21-11-13-4-2-3-8-20-13/h2-6,8,10,14H,7,9,11H2,1H3,(H,21,23)
InChIKeyCJTGEAKAHLVGMZ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.20
Rot. Bonds4

About 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 42853829) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID42853829
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc(F)c(N2CCC(C(=O)NCc3ccccn3)C2=O)c1
InChIInChI=1S/C18H18FN3O2/c1-12-5-6-15(19)16(10-12)22-9-7-14(18(22)24)17(23)21-11-13-4-2-3-8-20-13/h2-6,8,10,14H,7,9,11H2,1H3,(H,21,23)
InChIKeyCJTGEAKAHLVGMZ-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.20
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-(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-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 42853827
(3R)-1-(3-chloro-4-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 92985896
1-(4-chloro-3-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 42863485
1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46048874
(3R)-1-(4-chlorophenyl)-2-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 92986922
(3S)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330917
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
1-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048883
1-[(4-methylphenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46265556

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 42853829) is 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1ccc(F)c(N2CCC(C(=O)NCc3ccccn3)C2=O)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is CJTGEAKAHLVGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-12-5-6-15(19)16(10-12)22-9-7-14(18(22)24)17(23)21-11-13-4-2-3-8-20-13/h2-6,8,10,14H,7,9,11H2,1H3,(H,21,23).
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42853829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).