6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid

C14H14N4O3 — CID 43453140

IUPAC6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(C)nc(NC(=O)c2ccc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C14H14N4O3/c1-7-6-8(2)16-14(15-7)18-12(19)11-5-4-10(13(20)21)9(3)17-11/h4-6H,1-3H3,(H,20,21)(H,15,16,18,19)
InChIKeyKIZHFYQNFIHVRY-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.75
Rot. Bonds3

About 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid

6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid (PubChem CID 43453140) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
PubChem CID43453140
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
SMILESCc1cc(C)nc(NC(=O)c2ccc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C14H14N4O3/c1-7-6-8(2)16-14(15-7)18-12(19)11-5-4-10(13(20)21)9(3)17-11/h4-6H,1-3H3,(H,20,21)(H,15,16,18,19)
InChIKeyKIZHFYQNFIHVRY-UHFFFAOYSA-N
XLogP1.75
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43453127
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295
6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453082
2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 66353771
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
6-[(3-bromo-4-fluorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 104780403
6-[(2-bromo-5-chlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 81280144
2-methyl-6-(pyrazin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43616230

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid (CID 43453140) is 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid is Cc1cc(C)nc(NC(=O)c2ccc(C(=O)O)c(C)n2)n1.
What is the InChIKey of 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
The InChIKey is KIZHFYQNFIHVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-7-6-8(2)16-14(15-7)18-12(19)11-5-4-10(13(20)21)9(3)17-11/h4-6H,1-3H3,(H,20,21)(H,15,16,18,19).
What are the key properties of 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid?
6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 43453140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).