N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide

C13H18N2O2 — CID 166385702

IUPACN-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)/N=c2\ccccn2O)CC1
InChIInChI=1S/C13H18N2O2/c1-10-5-7-11(8-6-10)13(16)14-12-4-2-3-9-15(12)17/h2-4,9-11,17H,5-8H2,1H3/b14-12+
InChIKeyVTCNWDLLVRUNHA-WYMLVPIESA-N
MW234.30 g/mol
LogP1.98
Rot. Bonds1

About N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide

N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide (PubChem CID 166385702) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide
PubChem CID166385702
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)/N=c2\ccccn2O)CC1
InChIInChI=1S/C13H18N2O2/c1-10-5-7-11(8-6-10)13(16)14-12-4-2-3-9-15(12)17/h2-4,9-11,17H,5-8H2,1H3/b14-12+
InChIKeyVTCNWDLLVRUNHA-WYMLVPIESA-N
XLogP1.98
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide (CID 166385702) is N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)/N=c2\ccccn2O)CC1.
What is the InChIKey of N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide?
The InChIKey is VTCNWDLLVRUNHA-WYMLVPIESA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-7-11(8-6-10)13(16)14-12-4-2-3-9-15(12)17/h2-4,9-11,17H,5-8H2,1H3/b14-12+.
What are the key properties of N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide?
N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-pyridinylidene)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 166385702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).