N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide

C13H18N2O2 — CID 2456191

IUPACN-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O2/c16-12-7-6-11(9-14-12)13(17)15-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,16)(H,15,17)
InChIKeySYMDAYITIBXVFP-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.68
Rot. Bonds3

About N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide

N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2456191) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2456191
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H18N2O2/c16-12-7-6-11(9-14-12)13(17)15-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,16)(H,15,17)
InChIKeySYMDAYITIBXVFP-UHFFFAOYSA-N
XLogP1.68
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide (CID 2456191) is N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC1CCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is SYMDAYITIBXVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-7-6-11(9-14-12)13(17)15-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,14,16)(H,15,17).
What are the key properties of N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide?
N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2456191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).