(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C17H16FN3O2 — CID 755530

IUPAC(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H16FN3O2/c1-11-6-7-19-15(8-11)20-17(23)12-9-16(22)21(10-12)14-4-2-13(18)3-5-14/h2-8,12H,9-10H2,1H3,(H,19,20,23)/t12-/m0/s1
InChIKeyDBARERMEISGZDN-LBPRGKRZSA-N
MW313.33 g/mol
LogP2.52
Rot. Bonds3

About (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 755530) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID755530
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C17H16FN3O2/c1-11-6-7-19-15(8-11)20-17(23)12-9-16(22)21(10-12)14-4-2-13(18)3-5-14/h2-8,12H,9-10H2,1H3,(H,19,20,23)/t12-/m0/s1
InChIKeyDBARERMEISGZDN-LBPRGKRZSA-N
XLogP2.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 805098
1-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 2926625
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2883840
1-(2-methoxyphenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18885995
1-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17310627
N-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459090
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
N-(2-chloro-4,6-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187357
(3S)-1-(4-fluorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 679855
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122316771

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 755530) is (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccnc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DBARERMEISGZDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-6-7-19-15(8-11)20-17(23)12-9-16(22)21(10-12)14-4-2-13(18)3-5-14/h2-8,12H,9-10H2,1H3,(H,19,20,23)/t12-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 755530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).