4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide

C16H13FN4O2 — CID 59407031

IUPAC4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
SMILESCc1cc(=O)n(-c2ccc(NC(=O)c3ccc(F)cc3)cn2)[nH]1
InChIInChI=1S/C16H13FN4O2/c1-10-8-15(22)21(20-10)14-7-6-13(9-18-14)19-16(23)11-2-4-12(17)5-3-11/h2-9,20H,1H3,(H,19,23)
InChIKeyDWCAPDOFBJDVIB-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.26
Rot. Bonds3

About 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide

4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide (PubChem CID 59407031) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
PubChem CID59407031
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
SMILESCc1cc(=O)n(-c2ccc(NC(=O)c3ccc(F)cc3)cn2)[nH]1
InChIInChI=1S/C16H13FN4O2/c1-10-8-15(22)21(20-10)14-7-6-13(9-18-14)19-16(23)11-2-4-12(17)5-3-11/h2-9,20H,1H3,(H,19,23)
InChIKeyDWCAPDOFBJDVIB-UHFFFAOYSA-N
XLogP2.26
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 89378119
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-4-(4-fluorophenyl)benzamide
CID 58866660
6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 71766017
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide
CID 148829808
N-[6-(3-ethyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-4-methylbenzamide
CID 53187463
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide (CID 59407031) is 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide is Cc1cc(=O)n(-c2ccc(NC(=O)c3ccc(F)cc3)cn2)[nH]1.
What is the InChIKey of 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide?
The InChIKey is DWCAPDOFBJDVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-10-8-15(22)21(20-10)14-7-6-13(9-18-14)19-16(23)11-2-4-12(17)5-3-11/h2-9,20H,1H3,(H,19,23).
What are the key properties of 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide?
4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide has a molecular weight of 312.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide is sourced from PubChem (CID 59407031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).