N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide

C17H26N2O2 — CID 71461952

IUPACN-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide
SMILESCC(C)CCOc1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-13(2)10-11-21-16-9-8-14(12-18-16)17(20)19-15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyZQJWWAROOKJVRO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.57
Rot. Bonds6

About N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide

N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide (PubChem CID 71461952) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide
PubChem CID71461952
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide
SMILESCC(C)CCOc1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-13(2)10-11-21-16-9-8-14(12-18-16)17(20)19-15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,19,20)
InChIKeyZQJWWAROOKJVRO-UHFFFAOYSA-N
XLogP3.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide (CID 71461952) is N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide is CC(C)CCOc1ccc(C(=O)NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide?
The InChIKey is ZQJWWAROOKJVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)10-11-21-16-9-8-14(12-18-16)17(20)19-15-6-4-3-5-7-15/h8-9,12-13,15H,3-7,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide?
N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3-methylbutoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71461952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).