2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide

C12H10ClN3O — CID 10192785

IUPAC2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2)cc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c1-8-5-9(6-11(13)15-8)12(17)16-10-3-2-4-14-7-10/h2-7H,1H3,(H,16,17)
InChIKeySJFUCYDCBUMRDK-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide

2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide (PubChem CID 10192785) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
PubChem CID10192785
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2)cc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c1-8-5-9(6-11(13)15-8)12(17)16-10-3-2-4-14-7-10/h2-7H,1H3,(H,16,17)
InChIKeySJFUCYDCBUMRDK-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-pyridin-3-ylbenzamide
CID 1245821
2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
CID 99612025
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-chloro-5-[(3,5-dimethylbenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 44561916
2-N,4-N,6-N-tripyridin-3-ylpyrimidine-2,4,6-tricarboxamide
CID 144765692
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
CID 114052237
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
CID 39188157
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-chloro-N-(4-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104954651

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide (CID 10192785) is 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2cccnc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide?
The InChIKey is SJFUCYDCBUMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-5-9(6-11(13)15-8)12(17)16-10-3-2-4-14-7-10/h2-7H,1H3,(H,16,17).
What are the key properties of 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide?
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 10192785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).