N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

C15H14FN3O3 — CID 110606499

IUPACN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H14FN3O3/c1-9(14(21)19-12-5-3-2-4-11(12)16)18-15(22)10-6-7-13(20)17-8-10/h2-9H,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyZCTODXYMXABLNW-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.27
Rot. Bonds4

About N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110606499) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110606499
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccccc1F
InChIInChI=1S/C15H14FN3O3/c1-9(14(21)19-12-5-3-2-4-11(12)16)18-15(22)10-6-7-13(20)17-8-10/h2-9H,1H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyZCTODXYMXABLNW-UHFFFAOYSA-N
XLogP1.27
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110407656
N-(3-fluoro-2-iodophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 113340932
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 51149919
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
2-fluoro-N-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]benzamide
CID 92664485
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
N-[1-(3-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56809827
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 110606499) is N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)[nH]c1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZCTODXYMXABLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-9(14(21)19-12-5-3-2-4-11(12)16)18-15(22)10-6-7-13(20)17-8-10/h2-9H,1H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110606499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).