N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide

C13H15N3O2 — CID 103337544

IUPACN-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
SMILESN#CCN(C(=O)c1c[nH]ccc1=O)C1CCCC1
InChIInChI=1S/C13H15N3O2/c14-6-8-16(10-3-1-2-4-10)13(18)11-9-15-7-5-12(11)17/h5,7,9-10H,1-4,8H2,(H,15,17)
InChIKeyQVWFHYBWECYIPV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.28
Rot. Bonds3

About N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide

N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337544) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337544
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide
SMILESN#CCN(C(=O)c1c[nH]ccc1=O)C1CCCC1
InChIInChI=1S/C13H15N3O2/c14-6-8-16(10-3-1-2-4-10)13(18)11-9-15-7-5-12(11)17/h5,7,9-10H,1-4,8H2,(H,15,17)
InChIKeyQVWFHYBWECYIPV-UHFFFAOYSA-N
XLogP1.28
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-N-(furan-2-ylmethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337341
N-cyclopropyl-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337372
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
N-(2-cyanoethyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337352
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
4-chloro-N-(cyanomethyl)-N-cyclohexylbenzamide
CID 94699877
N-(cyanomethyl)-N-cyclopentyl-1-methyltriazole-4-carboxamide
CID 112735587
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2,5-difluorobenzamide
CID 82771438
4-bromo-N-(cyanomethyl)-N-cyclopentyl-2-methoxybenzamide
CID 78997563
N-(4-aminocyclohexyl)-N-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114038609
N-(cyanomethyl)-N-cyclopentyl-2,6-difluoro-3-methylbenzamide
CID 82814308
N-cyclohexyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633109

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide (CID 103337544) is N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide is N#CCN(C(=O)c1c[nH]ccc1=O)C1CCCC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QVWFHYBWECYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-6-8-16(10-3-1-2-4-10)13(18)11-9-15-7-5-12(11)17/h5,7,9-10H,1-4,8H2,(H,15,17).
What are the key properties of N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide?
N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopentyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).