N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride

C13H11Cl3N2O2 — CID 110777674

IUPACN-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(Cl)c(NC(=O)c2cccnc2)cc1Cl.Cl
InChIInChI=1S/C13H10Cl2N2O2.ClH/c1-19-12-6-9(14)11(5-10(12)15)17-13(18)8-3-2-4-16-7-8;/h2-7H,1H3,(H,17,18);1H
InChIKeyWBXLIRRJTUZGDP-UHFFFAOYSA-N
MW333.60 g/mol
LogP4.07
Rot. Bonds3

About N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride

N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 110777674) has the molecular formula C13H11Cl3N2O2 and a molecular weight of 333.60 g/mol. Its IUPAC name is N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
PubChem CID110777674
Molecular FormulaC13H11Cl3N2O2
Molecular Weight333.60 g/mol
Exact Mass331.99
IUPAC NameN-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
SMILESCOc1cc(Cl)c(NC(=O)c2cccnc2)cc1Cl.Cl
InChIInChI=1S/C13H10Cl2N2O2.ClH/c1-19-12-6-9(14)11(5-10(12)15)17-13(18)8-3-2-4-16-7-8;/h2-7H,1H3,(H,17,18);1H
InChIKeyWBXLIRRJTUZGDP-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.60
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 731708
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
3-chloro-N-(5-chloro-2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 66464599
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride (CID 110777674) is N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride is COc1cc(Cl)c(NC(=O)c2cccnc2)cc1Cl.Cl.
What is the InChIKey of N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is WBXLIRRJTUZGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2.ClH/c1-19-12-6-9(14)11(5-10(12)15)17-13(18)8-3-2-4-16-7-8;/h2-7H,1H3,(H,17,18);1H.
What are the key properties of N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride?
N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 333.60 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 110777674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).