N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide

C12H10Cl2N4O — CID 114050146

IUPACN-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ncnc(Cl)c2Cl)c(C)n1
InChIInChI=1S/C12H10Cl2N4O/c1-6-3-4-8(7(2)17-6)12(19)18-11-9(13)10(14)15-5-16-11/h3-5H,1-2H3,(H,15,16,18,19)
InChIKeyFDLSVEAOJVKIJQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.05
Rot. Bonds2

About N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide

N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 114050146) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID114050146
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC NameN-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2ncnc(Cl)c2Cl)c(C)n1
InChIInChI=1S/C12H10Cl2N4O/c1-6-3-4-8(7(2)17-6)12(19)18-11-9(13)10(14)15-5-16-11/h3-5H,1-2H3,(H,15,16,18,19)
InChIKeyFDLSVEAOJVKIJQ-UHFFFAOYSA-N
XLogP3.05
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide (CID 114050146) is N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2ncnc(Cl)c2Cl)c(C)n1.
What is the InChIKey of N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is FDLSVEAOJVKIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c1-6-3-4-8(7(2)17-6)12(19)18-11-9(13)10(14)15-5-16-11/h3-5H,1-2H3,(H,15,16,18,19).
What are the key properties of N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide?
N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloropyrimidin-4-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 114050146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).