N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

C13H10N4O2 — CID 125478368

IUPACN-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESN#CCNC(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C13H10N4O2/c14-5-8-16-12(18)10-1-2-11(17-13(10)19)9-3-6-15-7-4-9/h1-4,6-7H,8H2,(H,16,18)(H,17,19)
InChIKeyQAHGFEWSZTZFTK-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.69
Rot. Bonds3

About N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide

N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 125478368) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID125478368
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESN#CCNC(=O)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C13H10N4O2/c14-5-8-16-12(18)10-1-2-11(17-13(10)19)9-3-6-15-7-4-9/h1-4,6-7H,8H2,(H,16,18)(H,17,19)
InChIKeyQAHGFEWSZTZFTK-UHFFFAOYSA-N
XLogP0.69
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497426
6-(4-methylphenyl)-2-oxo-N-(pyridin-4-ylmethyl)-1H-pyridine-3-carboxamide
CID 66497649
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 124559390
N-[(2-methyl-1,3-dihydroisoindol-1-yl)methyl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 166363835
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491034
6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 125491202
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162
6-(4-methoxyphenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491158
6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 125478368) is N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is N#CCNC(=O)c1ccc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is QAHGFEWSZTZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-5-8-16-12(18)10-1-2-11(17-13(10)19)9-3-6-15-7-4-9/h1-4,6-7H,8H2,(H,16,18)(H,17,19).
What are the key properties of N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125478368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).