6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide

C12H11ClN4O — CID 176676954

IUPAC6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(Cl)n2)nc(C)n1
InChIInChI=1S/C12H11ClN4O/c1-7-15-9(6-10(16-7)12(18)14-2)8-4-3-5-11(13)17-8/h3-6H,1-2H3,(H,14,18)
InChIKeyCOXFMGRWQSWDTB-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.86
Rot. Bonds2

About 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide

6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 176676954) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID176676954
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cccc(Cl)n2)nc(C)n1
InChIInChI=1S/C12H11ClN4O/c1-7-15-9(6-10(16-7)12(18)14-2)8-4-3-5-11(13)17-8/h3-6H,1-2H3,(H,14,18)
InChIKeyCOXFMGRWQSWDTB-UHFFFAOYSA-N
XLogP1.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.86
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-6-(6-chloro-2-pyridinyl)pyridine
CID 10987918
N-(3-acetamidophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110861303
N,2-dimethyl-6-propan-2-ylpyrimidine-4-carboxamide
CID 176590723
4-chloro-N,6-dimethylpyridine-2-carboxamide
CID 129104219
N-(3-bromophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110862863
6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 71996644
(Z)-1-(4-acetylpiperazin-1-yl)-3-chloroprop-2-en-1-one;4-(6-chloro-2-pyridinyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 176676857
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
N-(4-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859165
N-(5-chloro-2-methylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110859086
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
6-chloro-N-[2-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62233103

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide (CID 176676954) is 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide is CNC(=O)c1cc(-c2cccc(Cl)n2)nc(C)n1.
What is the InChIKey of 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is COXFMGRWQSWDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-15-9(6-10(16-7)12(18)14-2)8-4-3-5-11(13)17-8/h3-6H,1-2H3,(H,14,18).
What are the key properties of 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide?
6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-pyridinyl)-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 176676954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).