5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide

C14H19N3O2 — CID 136556736

IUPAC5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C#N)c(=O)[nH]c1C(=O)NCCCC(C)C
InChIInChI=1S/C14H19N3O2/c1-9(2)5-4-6-16-14(19)12-10(3)7-11(8-15)13(18)17-12/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDXDMECPCEDMAAR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.72
Rot. Bonds5

About 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide

5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 136556736) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide
PubChem CID136556736
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(C#N)c(=O)[nH]c1C(=O)NCCCC(C)C
InChIInChI=1S/C14H19N3O2/c1-9(2)5-4-6-16-14(19)12-10(3)7-11(8-15)13(18)17-12/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyDXDMECPCEDMAAR-UHFFFAOYSA-N
XLogP1.72
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide (CID 136556736) is 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(C#N)c(=O)[nH]c1C(=O)NCCCC(C)C.
What is the InChIKey of 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is DXDMECPCEDMAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)5-4-6-16-14(19)12-10(3)7-11(8-15)13(18)17-12/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide?
5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-methyl-N-(4-methylpentyl)-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 136556736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).