6-(4-pentylphenoxy)pyridine-3-carboxamide

C17H20N2O2 — CID 142415252

IUPAC6-(4-pentylphenoxy)pyridine-3-carboxamide
SMILESCCCCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-4-5-13-6-9-15(10-7-13)21-16-11-8-14(12-19-16)17(18)20/h6-12H,2-5H2,1H3,(H2,18,20)
InChIKeyWHKAWHMFBXHKBD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.71
Rot. Bonds7

About 6-(4-pentylphenoxy)pyridine-3-carboxamide

6-(4-pentylphenoxy)pyridine-3-carboxamide (PubChem CID 142415252) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-(4-pentylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-pentylphenoxy)pyridine-3-carboxamide
PubChem CID142415252
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name6-(4-pentylphenoxy)pyridine-3-carboxamide
SMILESCCCCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-3-4-5-13-6-9-15(10-7-13)21-16-11-8-14(12-19-16)17(18)20/h6-12H,2-5H2,1H3,(H2,18,20)
InChIKeyWHKAWHMFBXHKBD-UHFFFAOYSA-N
XLogP3.71
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
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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Related Compounds

6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
N-hydroxy-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415304
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
6-butoxypyridine-3-carboxamide
CID 506622
6-[4-[1-(pentylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 68749693
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
5-fluoro-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 146305871
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-[4-[2-[cyclopentyl(propyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 91471625
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018

Frequently Asked Questions

What is the IUPAC name of 6-(4-pentylphenoxy)pyridine-3-carboxamide?
The IUPAC name of 6-(4-pentylphenoxy)pyridine-3-carboxamide (CID 142415252) is 6-(4-pentylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-pentylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-pentylphenoxy)pyridine-3-carboxamide is CCCCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-(4-pentylphenoxy)pyridine-3-carboxamide?
The InChIKey is WHKAWHMFBXHKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-4-5-13-6-9-15(10-7-13)21-16-11-8-14(12-19-16)17(18)20/h6-12H,2-5H2,1H3,(H2,18,20).
What are the key properties of 6-(4-pentylphenoxy)pyridine-3-carboxamide?
6-(4-pentylphenoxy)pyridine-3-carboxamide has a molecular weight of 284.36 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 6-(4-pentylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 142415252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).