N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride

C17H21ClN2O2 — CID 110788069

IUPACN-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(C)c(CCNC(=O)c2ccncc2)cc1C.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-12-11-16(21-3)13(2)10-15(12)6-9-19-17(20)14-4-7-18-8-5-14;/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20);1H
InChIKeyXYVSDMLASDLOAA-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110788069) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110788069
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(C)c(CCNC(=O)c2ccncc2)cc1C.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-12-11-16(21-3)13(2)10-15(12)6-9-19-17(20)14-4-7-18-8-5-14;/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20);1H
InChIKeyXYVSDMLASDLOAA-UHFFFAOYSA-N
XLogP3.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride 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-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
N-(2,5-dimethoxy-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110777790
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
4-acetamido-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]benzamide
CID 110795325
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
N-(2-methoxy-4,5-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776827
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 110795764

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride (CID 110788069) is N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride is COc1cc(C)c(CCNC(=O)c2ccncc2)cc1C.Cl.
What is the InChIKey of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is XYVSDMLASDLOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c1-12-11-16(21-3)13(2)10-15(12)6-9-19-17(20)14-4-7-18-8-5-14;/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110788069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).