N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide

C14H14FN3O2 — CID 16788694

IUPACN-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESNc1cc(F)ccc1NC(=O)CCn1ccccc1=O
InChIInChI=1S/C14H14FN3O2/c15-10-4-5-12(11(16)9-10)17-13(19)6-8-18-7-2-1-3-14(18)20/h1-5,7,9H,6,8,16H2,(H,17,19)
InChIKeyDTRQYNGJYKWBCE-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.60
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 16788694) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID16788694
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESNc1cc(F)ccc1NC(=O)CCn1ccccc1=O
InChIInChI=1S/C14H14FN3O2/c15-10-4-5-12(11(16)9-10)17-13(19)6-8-18-7-2-1-3-14(18)20/h1-5,7,9H,6,8,16H2,(H,17,19)
InChIKeyDTRQYNGJYKWBCE-UHFFFAOYSA-N
XLogP1.60
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979424
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560
N-(2-amino-4-fluorophenyl)-4-(6-oxopyridazin-1-yl)butanamide
CID 62848889
4-fluoro-N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 78885374
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-amino-4-fluorophenyl)-3-(5-methyl-2-oxopyrimidin-1-yl)propanamide
CID 63205828
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
N-(2,4-difluorophenyl)-3-indol-1-ylpropanamide
CID 9209396
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 43619956
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 16788694) is N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide is Nc1cc(F)ccc1NC(=O)CCn1ccccc1=O.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is DTRQYNGJYKWBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-4-5-12(11(16)9-10)17-13(19)6-8-18-7-2-1-3-14(18)20/h1-5,7,9H,6,8,16H2,(H,17,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 275.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 16788694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).