N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

C15H12FN3O2 — CID 125491034

IUPACN-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESN#CCCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C15H12FN3O2/c16-11-4-2-10(3-5-11)13-7-6-12(15(21)19-13)14(20)18-9-1-8-17/h2-7H,1,9H2,(H,18,20)(H,19,21)
InChIKeyPDLLLQRDYVRIOT-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.82
Rot. Bonds4

About N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125491034) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125491034
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC NameN-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESN#CCCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C15H12FN3O2/c16-11-4-2-10(3-5-11)13-7-6-12(15(21)19-13)14(20)18-9-1-8-17/h2-7H,1,9H2,(H,18,20)(H,19,21)
InChIKeyPDLLLQRDYVRIOT-UHFFFAOYSA-N
XLogP1.82
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
6-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497779
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 125491202
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 66497668
6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55757741
N-[2-(4-fluorophenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497514
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
methyl 6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66489830
N-(3-cyanopropyl)-2,4-difluorobenzamide
CID 62667575

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 125491034) is N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is N#CCCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PDLLLQRDYVRIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-11-4-2-10(3-5-11)13-7-6-12(15(21)19-13)14(20)18-9-1-8-17/h2-7H,1,9H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 285.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).