1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide

C21H17FN4O3 — CID 165153177

IUPAC1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccn(-c3ccc(F)cc3C#N)c2=O)cn1
InChIInChI=1S/C21H17FN4O3/c1-21(2,29)18-8-6-15(12-24-18)25-19(27)16-4-3-9-26(20(16)28)17-7-5-14(22)10-13(17)11-23/h3-10,12,29H,1-2H3,(H,25,27)
InChIKeyOTKBIRGMGIGPLI-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide

1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide (PubChem CID 165153177) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide
PubChem CID165153177
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC Name1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(NC(=O)c2cccn(-c3ccc(F)cc3C#N)c2=O)cn1
InChIInChI=1S/C21H17FN4O3/c1-21(2,29)18-8-6-15(12-24-18)25-19(27)16-4-3-9-26(20(16)28)17-7-5-14(22)10-13(17)11-23/h3-10,12,29H,1-2H3,(H,25,27)
InChIKeyOTKBIRGMGIGPLI-UHFFFAOYSA-N
XLogP2.72
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide with MolForge

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Related Compounds

Gsk-364735
CID 54718859
7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882896
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-1-methyl-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69481025
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482466
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
N-(4-fluorobenzyl)4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690727
N-Cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690871
7-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-n-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54698986
7-[(4-Fluorophenyl)methyl]-4-hydroxy-2-oxo-N-[2-(1-piperidinyl)ethyl]-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54702923
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54719986
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-isobutyl-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54729989

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide (CID 165153177) is 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide is CC(C)(O)c1ccc(NC(=O)c2cccn(-c3ccc(F)cc3C#N)c2=O)cn1.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide?
The InChIKey is OTKBIRGMGIGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-21(2,29)18-8-6-15(12-24-18)25-19(27)16-4-3-9-26(20(16)28)17-7-5-14(22)10-13(17)11-23/h3-10,12,29H,1-2H3,(H,25,27).
What are the key properties of 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide?
1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide has a molecular weight of 392.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-N-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 165153177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).