N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide

C13H18N2O2 — CID 115277407

IUPACN-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)C1CCC(O)CC1
InChIInChI=1S/C13H18N2O2/c1-15(10-5-7-11(16)8-6-10)13(17)12-4-2-3-9-14-12/h2-4,9-11,16H,5-8H2,1H3
InChIKeyFKYJHDORHAPRIE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.46
Rot. Bonds2

About N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide

N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide (PubChem CID 115277407) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide
PubChem CID115277407
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)C1CCC(O)CC1
InChIInChI=1S/C13H18N2O2/c1-15(10-5-7-11(16)8-6-10)13(17)12-4-2-3-9-14-12/h2-4,9-11,16H,5-8H2,1H3
InChIKeyFKYJHDORHAPRIE-UHFFFAOYSA-N
XLogP1.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide (CID 115277407) is N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccccn1)C1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide?
The InChIKey is FKYJHDORHAPRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(10-5-7-11(16)8-6-10)13(17)12-4-2-3-9-14-12/h2-4,9-11,16H,5-8H2,1H3.
What are the key properties of N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide?
N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115277407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).