N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide

C18H16N4O — CID 53149780

IUPACN-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cncnc3)nc2)c(C)c1
InChIInChI=1S/C18H16N4O/c1-12-3-5-16(13(2)7-12)22-18(23)14-4-6-17(21-10-14)15-8-19-11-20-9-15/h3-11H,1-2H3,(H,22,23)
InChIKeyCKBUULUOSSZCGB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.41
Rot. Bonds3

About N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide

N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide (PubChem CID 53149780) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
PubChem CID53149780
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3cncnc3)nc2)c(C)c1
InChIInChI=1S/C18H16N4O/c1-12-3-5-16(13(2)7-12)22-18(23)14-4-6-17(21-10-14)15-8-19-11-20-9-15/h3-11H,1-2H3,(H,22,23)
InChIKeyCKBUULUOSSZCGB-UHFFFAOYSA-N
XLogP3.41
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide (CID 53149780) is N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3cncnc3)nc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
The InChIKey is CKBUULUOSSZCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-3-5-16(13(2)7-12)22-18(23)14-4-6-17(21-10-14)15-8-19-11-20-9-15/h3-11H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-6-pyrimidin-5-ylpyridine-3-carboxamide is sourced from PubChem (CID 53149780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).