N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide

C20H34N2O2 — CID 67674009

IUPACN-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide
SMILESCCCCCCOc1ccc(C(=O)NCCC(C)(CC)CC)cn1
InChIInChI=1S/C20H34N2O2/c1-5-8-9-10-15-24-18-12-11-17(16-22-18)19(23)21-14-13-20(4,6-2)7-3/h11-12,16H,5-10,13-15H2,1-4H3,(H,21,23)
InChIKeyBPIBTAWNNHJRGM-UHFFFAOYSA-N
MW334.50 g/mol
LogP4.99
Rot. Bonds12

About N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide

N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide (PubChem CID 67674009) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide
PubChem CID67674009
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide
SMILESCCCCCCOc1ccc(C(=O)NCCC(C)(CC)CC)cn1
InChIInChI=1S/C20H34N2O2/c1-5-8-9-10-15-24-18-12-11-17(16-22-18)19(23)21-14-13-20(4,6-2)7-3/h11-12,16H,5-10,13-15H2,1-4H3,(H,21,23)
InChIKeyBPIBTAWNNHJRGM-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-butoxypropyl)-6-ethoxypyridine-3-carboxamide
CID 87002141
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
6-butoxypyridine-3-carboxamide
CID 506622
2-decoxy-1-N,4-N-dioctadecylbenzene-1,4-dicarboxamide
CID 101292937
1-N,4-N-di(octacosyl)-2-tetradecoxybenzene-1,4-dicarboxamide
CID 101293047
2-heptadecoxy-1-N,4-N-di(octacosyl)benzene-1,4-dicarboxamide
CID 101293122
1-N,4-N-didodecyl-2-tetradecoxybenzene-1,4-dicarboxamide
CID 101293031
2-hexoxy-1-N,4-N-di(tetradecyl)benzene-1,4-dicarboxamide
CID 101292833
2-heptadecoxy-1-N,4-N-di(pentacosyl)benzene-1,4-dicarboxamide
CID 101293119
2-dodecoxy-1-N,4-N-dioctylbenzene-1,4-dicarboxamide
CID 101292977

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide?
The IUPAC name of N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide (CID 67674009) is N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide?
The canonical SMILES for N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide is CCCCCCOc1ccc(C(=O)NCCC(C)(CC)CC)cn1.
What is the InChIKey of N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide?
The InChIKey is BPIBTAWNNHJRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-5-8-9-10-15-24-18-12-11-17(16-22-18)19(23)21-14-13-20(4,6-2)7-3/h11-12,16H,5-10,13-15H2,1-4H3,(H,21,23).
What are the key properties of N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide?
N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide has a molecular weight of 334.50 g/mol, XLogP of 4.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-3-methylpentyl)-6-hexoxypyridine-3-carboxamide is sourced from PubChem (CID 67674009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).