N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide

C15H15ClN2O3 — CID 18149046

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)nc2)c(OC)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-9-4-5-10(8-17-9)15(19)18-12-7-13(20-2)11(16)6-14(12)21-3/h4-8H,1-3H3,(H,18,19)
InChIKeyQYPUIBFLDWWUIK-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.31
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 18149046) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID18149046
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(C)nc2)c(OC)cc1Cl
InChIInChI=1S/C15H15ClN2O3/c1-9-4-5-10(8-17-9)15(19)18-12-7-13(20-2)11(16)6-14(12)21-3/h4-8H,1-3H3,(H,18,19)
InChIKeyQYPUIBFLDWWUIK-UHFFFAOYSA-N
XLogP3.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149498
N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
N-(4-chloro-2,5-dimethoxyphenyl)-6-(cyclohexylamino)pyridine-3-carboxamide
CID 109152462
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
N-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18148000
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161219
N-(4-chloro-2,5-dimethoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109157742
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765168
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxy-4-methylbenzamide
CID 9083792
N-(4-chloro-2,5-dimethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825951

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide (CID 18149046) is N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide is COc1cc(NC(=O)c2ccc(C)nc2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is QYPUIBFLDWWUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-9-4-5-10(8-17-9)15(19)18-12-7-13(20-2)11(16)6-14(12)21-3/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 18149046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).