1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide

C19H14ClFN4O2 — CID 167953080

IUPAC1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nccc2ccncc12)C1CC(=O)N(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H14ClFN4O2/c20-15-2-1-13(8-16(15)21)25-10-12(7-17(25)26)19(27)24-18-14-9-22-5-3-11(14)4-6-23-18/h1-6,8-9,12H,7,10H2,(H,23,24,27)
InChIKeyVYFOGXGMIPLKIR-UHFFFAOYSA-N
MW384.80 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 167953080) has the molecular formula C19H14ClFN4O2 and a molecular weight of 384.80 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID167953080
Molecular FormulaC19H14ClFN4O2
Molecular Weight384.80 g/mol
Exact Mass384.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nccc2ccncc12)C1CC(=O)N(c2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H14ClFN4O2/c20-15-2-1-13(8-16(15)21)25-10-12(7-17(25)26)19(27)24-18-14-9-22-5-3-11(14)4-6-23-18/h1-6,8-9,12H,7,10H2,(H,23,24,27)
InChIKeyVYFOGXGMIPLKIR-UHFFFAOYSA-N
XLogP3.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chloro-3-fluorophenyl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 124591586
(2S)-2-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 120525907
(3R)-1-(3-chloro-4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 29094993
4-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 120534750
N-(1-carbamoylcyclopropyl)-1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146124222
7-[[1-(4-chloro-3-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]heptanoic acid
CID 120524006
N-(3-chloro-2-pyridinyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75398639
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113187858
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
N-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459090
1-(3-chloro-4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17225475

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide (CID 167953080) is 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nccc2ccncc12)C1CC(=O)N(c2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VYFOGXGMIPLKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O2/c20-15-2-1-13(8-16(15)21)25-10-12(7-17(25)26)19(27)24-18-14-9-22-5-3-11(14)4-6-23-18/h1-6,8-9,12H,7,10H2,(H,23,24,27).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.80 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167953080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).