N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride

C15H16Cl2N2O2 — CID 110789764

IUPACN-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2ccncc2)c(Cl)c1.Cl
InChIInChI=1S/C15H15ClN2O2.ClH/c1-20-13-3-2-11(14(16)10-13)6-9-18-15(19)12-4-7-17-8-5-12;/h2-5,7-8,10H,6,9H2,1H3,(H,18,19);1H
InChIKeyQWYRYZRZVVTGIL-UHFFFAOYSA-N
MW327.21 g/mol
LogP3.14
Rot. Bonds5

About N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride

N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 110789764) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
PubChem CID110789764
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC NameN-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
SMILESCOc1ccc(CCNC(=O)c2ccncc2)c(Cl)c1.Cl
InChIInChI=1S/C15H15ClN2O2.ClH/c1-20-13-3-2-11(14(16)10-13)6-9-18-15(19)12-4-7-17-8-5-12;/h2-5,7-8,10H,6,9H2,1H3,(H,18,19);1H
InChIKeyQWYRYZRZVVTGIL-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
N-[2-(5-chloro-2-methoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 110788799
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110789665
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]pyridine-4-carboxamide;hydrochloride
CID 110788069
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 110789762
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845
N-[2-(5-chloro-2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 110790543

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride (CID 110789764) is N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride is COc1ccc(CCNC(=O)c2ccncc2)c(Cl)c1.Cl.
What is the InChIKey of N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is QWYRYZRZVVTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2.ClH/c1-20-13-3-2-11(14(16)10-13)6-9-18-15(19)12-4-7-17-8-5-12;/h2-5,7-8,10H,6,9H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride?
N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 327.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-4-methoxyphenyl)ethyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 110789764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).