2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide

C11H8Cl2N4O — CID 114052237

IUPAC2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nccc(Cl)n2)cc(Cl)n1
InChIInChI=1S/C11H8Cl2N4O/c1-6-4-7(5-9(13)15-6)10(18)17-11-14-3-2-8(12)16-11/h2-5H,1H3,(H,14,16,17,18)
InChIKeyVYEYLICSSMRBNC-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.74
Rot. Bonds2

About 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide

2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide (PubChem CID 114052237) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
PubChem CID114052237
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nccc(Cl)n2)cc(Cl)n1
InChIInChI=1S/C11H8Cl2N4O/c1-6-4-7(5-9(13)15-6)10(18)17-11-14-3-2-8(12)16-11/h2-5H,1H3,(H,14,16,17,18)
InChIKeyVYEYLICSSMRBNC-UHFFFAOYSA-N
XLogP2.74
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104954651
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
(4-chloropyrimidin-2-yl)carbamic acid
CID 135282743
5,6-dichloro-N-(4-chloropyrimidin-2-yl)pyridine-3-carboxamide
CID 114052239
4-chloro-N-(4-chloropyrimidin-2-yl)-2-methylbenzamide
CID 114052523
2-chloro-6-methyl-N-pyridin-3-ylpyridine-4-carboxamide
CID 10192785
2-chloro-6-methyl-N-(2-phenylpyrimidin-5-yl)pyridine-4-carboxamide
CID 99612025
3-[(2-chloro-6-methylpyridine-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264990
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
2-chloro-N-(2-chloro-5-fluorophenyl)-6-methylpyridine-4-carboxamide
CID 104952423
2-chloro-6-methylpyridine-4-carboxamide
CID 59534429
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide (CID 114052237) is 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2nccc(Cl)n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide?
The InChIKey is VYEYLICSSMRBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c1-6-4-7(5-9(13)15-6)10(18)17-11-14-3-2-8(12)16-11/h2-5H,1H3,(H,14,16,17,18).
What are the key properties of 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide?
2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide has a molecular weight of 283.12 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloropyrimidin-2-yl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 114052237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).