N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide

C16H24N2O2 — CID 77084205

IUPACN-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCOC2CCCC2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(11-13(2)18-12)16(19)17-8-5-9-20-15-6-3-4-7-15/h10-11,15H,3-9H2,1-2H3,(H,17,19)
InChIKeySTCDWFPMJLEPQT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.78
Rot. Bonds6

About N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide

N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide (PubChem CID 77084205) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
PubChem CID77084205
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCCOC2CCCC2)cc(C)n1
InChIInChI=1S/C16H24N2O2/c1-12-10-14(11-13(2)18-12)16(19)17-8-5-9-20-15-6-3-4-7-15/h10-11,15H,3-9H2,1-2H3,(H,17,19)
InChIKeySTCDWFPMJLEPQT-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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

2-chloro-N-(2-cyclopentyloxyethyl)-6-methylpyridine-4-carboxamide
CID 113378437
N-(3-cyclohexyloxypropyl)-4-(6-methylpyridazin-3-yl)benzamide
CID 119058692
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
CID 60668652
N-(3-cyclohexyloxypropyl)-4-propan-2-ylbenzamide
CID 134029978
N-(3-cyclopentyloxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 49002161
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
N-(3-cyclopentyloxypropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49002568
3,5-dibromo-N-(2-cyclopentyloxyethyl)benzamide
CID 103908078
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide (CID 77084205) is N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)NCCCOC2CCCC2)cc(C)n1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide?
The InChIKey is STCDWFPMJLEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-14(11-13(2)18-12)16(19)17-8-5-9-20-15-6-3-4-7-15/h10-11,15H,3-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide?
N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-2,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 77084205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).