N-cyclohexyl-6-pentoxypyridine-3-carboxamide

C17H26N2O2 — CID 71454767

IUPACN-cyclohexyl-6-pentoxypyridine-3-carboxamide
SMILESCCCCCOc1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-2-3-7-12-21-16-11-10-14(13-18-16)17(20)19-15-8-5-4-6-9-15/h10-11,13,15H,2-9,12H2,1H3,(H,19,20)
InChIKeyADGOLTAGOXVCEI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.71
Rot. Bonds7

About N-cyclohexyl-6-pentoxypyridine-3-carboxamide

N-cyclohexyl-6-pentoxypyridine-3-carboxamide (PubChem CID 71454767) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclohexyl-6-pentoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-pentoxypyridine-3-carboxamide
PubChem CID71454767
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclohexyl-6-pentoxypyridine-3-carboxamide
SMILESCCCCCOc1ccc(C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C17H26N2O2/c1-2-3-7-12-21-16-11-10-14(13-18-16)17(20)19-15-8-5-4-6-9-15/h10-11,13,15H,2-9,12H2,1H3,(H,19,20)
InChIKeyADGOLTAGOXVCEI-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.71
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 N-cyclohexyl-6-pentoxypyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-pentoxypyridine-3-carboxamide (CID 71454767) is N-cyclohexyl-6-pentoxypyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-pentoxypyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-pentoxypyridine-3-carboxamide is CCCCCOc1ccc(C(=O)NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-6-pentoxypyridine-3-carboxamide?
The InChIKey is ADGOLTAGOXVCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-7-12-21-16-11-10-14(13-18-16)17(20)19-15-8-5-4-6-9-15/h10-11,13,15H,2-9,12H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-6-pentoxypyridine-3-carboxamide?
N-cyclohexyl-6-pentoxypyridine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-pentoxypyridine-3-carboxamide is sourced from PubChem (CID 71454767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).