N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide

C19H16ClN3O — CID 45485759

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)n1
InChIInChI=1S/C19H16ClN3O/c1-12-6-8-15(13(2)22-12)19(24)23-14-7-9-17(20)16(11-14)18-5-3-4-10-21-18/h3-11H,1-2H3,(H,23,24)
InChIKeyAJNNVSJLRGTTPV-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.67
Rot. Bonds3

About N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 45485759) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID45485759
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)n1
InChIInChI=1S/C19H16ClN3O/c1-12-6-8-15(13(2)22-12)19(24)23-14-7-9-17(20)16(11-14)18-5-3-4-10-21-18/h3-11H,1-2H3,(H,23,24)
InChIKeyAJNNVSJLRGTTPV-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
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2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
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N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2-fluoro-5-methylphenyl)-4-methylsulfanylbenzamide
CID 123710564
2-(3-chloro-2-fluorophenyl)-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CID 70797233
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-(4-chloro-3-pyridin-2-ylphenyl)-2-(2,3-dichlorophenyl)-4-methylsulfonylbenzamide
CID 70797228
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(piperazine-1-carbonyl)benzamide
CID 170123949
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide (CID 45485759) is N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(C)n1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is AJNNVSJLRGTTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-12-6-8-15(13(2)22-12)19(24)23-14-7-9-17(20)16(11-14)18-5-3-4-10-21-18/h3-11H,1-2H3,(H,23,24).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 45485759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).