2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide

C15H10FN3O2 — CID 48909055

IUPAC2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
SMILESN#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-6-4-10(5-7-11)14(20)12(9-17)15(21)19-13-3-1-2-8-18-13/h1-8,12H,(H,18,19,21)
InChIKeyNDDRPYWIEBGERN-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.18
Rot. Bonds4

About 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide

2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide (PubChem CID 48909055) has the molecular formula C15H10FN3O2 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
PubChem CID48909055
Molecular FormulaC15H10FN3O2
Molecular Weight283.26 g/mol
Exact Mass283.08
IUPAC Name2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide
SMILESN#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O2/c16-11-6-4-10(5-7-11)14(20)12(9-17)15(21)19-13-3-1-2-8-18-13/h1-8,12H,(H,18,19,21)
InChIKeyNDDRPYWIEBGERN-UHFFFAOYSA-N
XLogP2.18
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(2,1,3-benzothiadiazol-5-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide
CID 129358332
(2S)-2-cyano-3-(4-fluorophenyl)-3-oxo-N-phenylpropanamide
CID 98450143
(2S)-2-cyano-3-(3,5-dimethoxy-4-methylphenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 98506760
(2R)-2-cyano-3-(3-ethoxyphenyl)-3-oxo-N-pyridin-2-ylpropanamide
CID 98506749
methyl N-[3-[(2R)-2-cyano-3-oxo-3-(pyridin-2-ylamino)propanoyl]phenyl]carbamate
CID 98142120
2-cyano-5-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-3-oxo-N-pyridin-2-ylpentanamide
CID 48908703
(2S)-2-cyano-3-oxo-3-(1-phenylpyrazol-3-yl)-N-pyridin-2-ylpropanamide
CID 98470454
3-(4-chlorophenyl)-2-cyano-N-(4-fluorophenyl)-3-oxopropanamide
CID 7100268
1-(4-fluorophenyl)-3-pyridin-2-ylurea
CID 17267918
2-cyano-3-(4-fluorophenyl)-3-oxo-N-(1-phenylethyl)propanamide
CID 51086385
3-(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-2-cyano-3-oxo-N-pyridin-2-ylpropanamide
CID 55885114
(2S)-2-cyano-3-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-3-oxo-N-pyridin-2-ylpropanamide
CID 98506860

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide (CID 48909055) is 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide is N#CC(C(=O)Nc1ccccn1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide?
The InChIKey is NDDRPYWIEBGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2/c16-11-6-4-10(5-7-11)14(20)12(9-17)15(21)19-13-3-1-2-8-18-13/h1-8,12H,(H,18,19,21).
What are the key properties of 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide?
2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide has a molecular weight of 283.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-fluorophenyl)-3-oxo-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 48909055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).