N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride

C17H21ClN2O3 — CID 110789665

IUPACN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(CCNC(=O)c2ccncc2)c(OC)cc1C.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-12-10-16(22-3)14(11-15(12)21-2)6-9-19-17(20)13-4-7-18-8-5-13;/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20);1H
InChIKeyRYTITFLYHVLXJN-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110789665) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110789665
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1cc(CCNC(=O)c2ccncc2)c(OC)cc1C.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-12-10-16(22-3)14(11-15(12)21-2)6-9-19-17(20)13-4-7-18-8-5-13;/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20);1H
InChIKeyRYTITFLYHVLXJN-UHFFFAOYSA-N
XLogP2.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
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-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 110795764
N-[2-(2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787308
4-acetamido-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]benzamide
CID 110795325
N-(2,5-dimethoxy-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110777790
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789764
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridine-2-carboxamide
CID 110795315
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride (CID 110789665) is N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride is COc1cc(CCNC(=O)c2ccncc2)c(OC)cc1C.Cl.
What is the InChIKey of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is RYTITFLYHVLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.ClH/c1-12-10-16(22-3)14(11-15(12)21-2)6-9-19-17(20)13-4-7-18-8-5-13;/h4-5,7-8,10-11H,6,9H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110789665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).