N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide

C15H15FN4O2 — CID 136564462

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCN(c2ncccc2F)C1)c1cc(=O)cc[nH]1
InChIInChI=1S/C15H15FN4O2/c16-12-2-1-5-18-14(12)20-7-4-10(9-20)19-15(22)13-8-11(21)3-6-17-13/h1-3,5-6,8,10H,4,7,9H2,(H,17,21)(H,19,22)
InChIKeyMNQUIFHMKDNZIW-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.92
Rot. Bonds3

About N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide

N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 136564462) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
PubChem CID136564462
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NC1CCN(c2ncccc2F)C1)c1cc(=O)cc[nH]1
InChIInChI=1S/C15H15FN4O2/c16-12-2-1-5-18-14(12)20-7-4-10(9-20)19-15(22)13-8-11(21)3-6-17-13/h1-3,5-6,8,10H,4,7,9H2,(H,17,21)(H,19,22)
InChIKeyMNQUIFHMKDNZIW-UHFFFAOYSA-N
XLogP0.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126795682
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84592874
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 139012930
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 139012938
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea
CID 167977556
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 126776040

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide (CID 136564462) is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide is O=C(NC1CCN(c2ncccc2F)C1)c1cc(=O)cc[nH]1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is MNQUIFHMKDNZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c16-12-2-1-5-18-14(12)20-7-4-10(9-20)19-15(22)13-8-11(21)3-6-17-13/h1-3,5-6,8,10H,4,7,9H2,(H,17,21)(H,19,22).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide?
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 136564462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).