6-butoxy-N-cyclohexylpyridine-3-carboxamide

C16H24N2O2 — CID 58368244

IUPAC6-butoxy-N-cyclohexylpyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C16H24N2O2/c1-2-3-11-20-15-10-9-13(12-17-15)16(19)18-14-7-5-4-6-8-14/h9-10,12,14H,2-8,11H2,1H3,(H,18,19)
InChIKeyXVECKZZSHJJIDH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.32
Rot. Bonds6

About 6-butoxy-N-cyclohexylpyridine-3-carboxamide

6-butoxy-N-cyclohexylpyridine-3-carboxamide (PubChem CID 58368244) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-butoxy-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-butoxy-N-cyclohexylpyridine-3-carboxamide
PubChem CID58368244
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-butoxy-N-cyclohexylpyridine-3-carboxamide
SMILESCCCCOc1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C16H24N2O2/c1-2-3-11-20-15-10-9-13(12-17-15)16(19)18-14-7-5-4-6-8-14/h9-10,12,14H,2-8,11H2,1H3,(H,18,19)
InChIKeyXVECKZZSHJJIDH-UHFFFAOYSA-N
XLogP3.32
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
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 6-butoxy-N-cyclohexylpyridine-3-carboxamide?
The IUPAC name of 6-butoxy-N-cyclohexylpyridine-3-carboxamide (CID 58368244) is 6-butoxy-N-cyclohexylpyridine-3-carboxamide.
What is the SMILES notation for 6-butoxy-N-cyclohexylpyridine-3-carboxamide?
The canonical SMILES for 6-butoxy-N-cyclohexylpyridine-3-carboxamide is CCCCOc1ccc(C(=O)NC2CCCCC2)cn1.
What is the InChIKey of 6-butoxy-N-cyclohexylpyridine-3-carboxamide?
The InChIKey is XVECKZZSHJJIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-11-20-15-10-9-13(12-17-15)16(19)18-14-7-5-4-6-8-14/h9-10,12,14H,2-8,11H2,1H3,(H,18,19).
What are the key properties of 6-butoxy-N-cyclohexylpyridine-3-carboxamide?
6-butoxy-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 58368244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).