3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide

C17H16FN3O2 — CID 124588987

IUPAC3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1ccc(N2CC[C@H](NC(=O)c3ccncc3F)C2=O)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-2-4-12(5-3-11)21-9-7-15(17(21)23)20-16(22)13-6-8-19-10-14(13)18/h2-6,8,10,15H,7,9H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyGRRJBRPBEFUHBJ-HNNXBMFYSA-N
MW313.33 g/mol
LogP2.06
Rot. Bonds3

About 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide

3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 124588987) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID124588987
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCc1ccc(N2CC[C@H](NC(=O)c3ccncc3F)C2=O)cc1
InChIInChI=1S/C17H16FN3O2/c1-11-2-4-12(5-3-11)21-9-7-15(17(21)23)20-16(22)13-6-8-19-10-14(13)18/h2-6,8,10,15H,7,9H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyGRRJBRPBEFUHBJ-HNNXBMFYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]carbamoyl]furan-3-carboxylic acid
CID 126786075
N-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71839041
N-[(3R)-1-(4-chloro-3-fluorophenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide
CID 97329341
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
N-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-2,4-dimethylbenzamide
CID 71838984
2-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzamide
CID 113251113
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
3-fluoro-N-(2-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950714
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-(2-methylcyclopropyl)pyridine-4-carboxamide
CID 115646459

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide (CID 124588987) is 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide is Cc1ccc(N2CC[C@H](NC(=O)c3ccncc3F)C2=O)cc1.
What is the InChIKey of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is GRRJBRPBEFUHBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-11-2-4-12(5-3-11)21-9-7-15(17(21)23)20-16(22)13-6-8-19-10-14(13)18/h2-6,8,10,15H,7,9H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide?
3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 124588987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).