N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide

C18H13N3O2 — CID 66497426

IUPACN-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
SMILESN#CCNC(=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C18H13N3O2/c19-9-10-20-17(22)15-7-8-16(21-18(15)23)14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,10H2,(H,20,22)(H,21,23)
InChIKeyXMPHVSQPLZVULW-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.45
Rot. Bonds3

About N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide

N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 66497426) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID66497426
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC NameN-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
SMILESN#CCNC(=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C18H13N3O2/c19-9-10-20-17(22)15-7-8-16(21-18(15)23)14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,10H2,(H,20,22)(H,21,23)
InChIKeyXMPHVSQPLZVULW-UHFFFAOYSA-N
XLogP2.45
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497282
N-[2-(4-methoxyphenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497361
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
N-[2-(4-fluorophenyl)ethyl]-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497514
N-(4-methylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497515
N-(3,5-dimethylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497452
dimethyl 5-[(6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 66497350
N-(3-acetylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497266
N-cyclohexyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497312
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497391
N-(2-methylcyclohexyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497320

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide (CID 66497426) is N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide is N#CCNC(=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XMPHVSQPLZVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c19-9-10-20-17(22)15-7-8-16(21-18(15)23)14-6-5-12-3-1-2-4-13(12)11-14/h1-8,11H,10H2,(H,20,22)(H,21,23).
What are the key properties of N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide?
N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 66497426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).