N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride

C18H23ClN2O2 — CID 172619079

IUPACN-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc(OC)cc2)nc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-4-5-6-14-7-12-17(19-13-14)18(21)20-15-8-10-16(22-2)11-9-15;/h7-13H,3-6H2,1-2H3,(H,20,21);1H
InChIKeyLIIIOCPVZBPJHZ-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.50
Rot. Bonds7

About N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride

N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride (PubChem CID 172619079) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
PubChem CID172619079
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride
SMILESCCCCCc1ccc(C(=O)Nc2ccc(OC)cc2)nc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-4-5-6-14-7-12-17(19-13-14)18(21)20-15-8-10-16(22-2)11-9-15;/h7-13H,3-6H2,1-2H3,(H,20,21);1H
InChIKeyLIIIOCPVZBPJHZ-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.50
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

5-bromo-N-(4-pentylphenyl)pyridine-2-carboxamide
CID 63524951
2-hydroxy-4-[(5-pentylpyridine-2-carbonyl)amino]benzoic acid;hydrochloride
CID 172618946
N-butyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109180664
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190534
N-(4-butylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642627
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
5-pentyl-N'-phenylpyridine-2-carbohydrazide
CID 172618878
N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
CID 4016608
N-(4-butylphenyl)-5-chloropyrazine-2-carboxamide
CID 103803190
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride (CID 172619079) is N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride is CCCCCc1ccc(C(=O)Nc2ccc(OC)cc2)nc1.Cl.
What is the InChIKey of N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
The InChIKey is LIIIOCPVZBPJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-3-4-5-6-14-7-12-17(19-13-14)18(21)20-15-8-10-16(22-2)11-9-15;/h7-13H,3-6H2,1-2H3,(H,20,21);1H.
What are the key properties of N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride?
N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-pentylpyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 172619079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).