N-(4-hexoxyphenyl)pyridine-2-carboxamide

C18H22N2O2 — CID 17353110

IUPACN-(4-hexoxyphenyl)pyridine-2-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-3-4-7-14-22-16-11-9-15(10-12-16)20-18(21)17-8-5-6-13-19-17/h5-6,8-13H,2-4,7,14H2,1H3,(H,20,21)
InChIKeyMFQPJZCVQKOUJS-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.29
Rot. Bonds8

About N-(4-hexoxyphenyl)pyridine-2-carboxamide

N-(4-hexoxyphenyl)pyridine-2-carboxamide (PubChem CID 17353110) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)pyridine-2-carboxamide
PubChem CID17353110
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(4-hexoxyphenyl)pyridine-2-carboxamide
SMILESCCCCCCOc1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-2-3-4-7-14-22-16-11-9-15(10-12-16)20-18(21)17-8-5-6-13-19-17/h5-6,8-13H,2-4,7,14H2,1H3,(H,20,21)
InChIKeyMFQPJZCVQKOUJS-UHFFFAOYSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.29
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-[(4-decoxyphenyl)carbamoyl]benzoic acid
CID 51001456
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
undecyl 2-[3-(pyridine-2-carbonylamino)anilino]acetate
CID 171978388
2-(2-dodecoxyethoxy)ethyl N-[1-[4-(pyridine-2-carbonylamino)phenyl]ethyl]carbamate
CID 139764701
propyl 4-(pyridine-2-carbonylamino)benzoate
CID 17353106
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-hexoxyphenyl)pyridine-2-carboxamide (CID 17353110) is N-(4-hexoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-hexoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-hexoxyphenyl)pyridine-2-carboxamide is CCCCCCOc1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)pyridine-2-carboxamide?
The InChIKey is MFQPJZCVQKOUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-3-4-7-14-22-16-11-9-15(10-12-16)20-18(21)17-8-5-6-13-19-17/h5-6,8-13H,2-4,7,14H2,1H3,(H,20,21).
What are the key properties of N-(4-hexoxyphenyl)pyridine-2-carboxamide?
N-(4-hexoxyphenyl)pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 17353110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).