2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid

C12H10N4O3 — CID 43453127

IUPAC2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ncccn2)ccc1C(=O)O
InChIInChI=1S/C12H10N4O3/c1-7-8(11(18)19)3-4-9(15-7)10(17)16-12-13-5-2-6-14-12/h2-6H,1H3,(H,18,19)(H,13,14,16,17)
InChIKeyZTFHBVCYENOPOA-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.13
Rot. Bonds3

About 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid

2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 43453127) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID43453127
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)Nc2ncccn2)ccc1C(=O)O
InChIInChI=1S/C12H10N4O3/c1-7-8(11(18)19)3-4-9(15-7)10(17)16-12-13-5-2-6-14-12/h2-6H,1H3,(H,18,19)(H,13,14,16,17)
InChIKeyZTFHBVCYENOPOA-UHFFFAOYSA-N
XLogP1.13
TPSA105.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453140
2-methyl-6-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453231
2-methyl-6-(pyrazin-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43616230
6-[(2,4-dichlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453082
6-[(3-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453081
2-methyl-6-(thiophen-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 66353771
6-[(3-bromo-4-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 63334423
6-[(3-bromo-5-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 107577295
6-[(4-chloro-2-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453126
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
6-[(4-bromo-3-methylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453090
6-[(2-bromo-5-chlorophenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 81280144

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid (CID 43453127) is 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid is Cc1nc(C(=O)Nc2ncccn2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is ZTFHBVCYENOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c1-7-8(11(18)19)3-4-9(15-7)10(17)16-12-13-5-2-6-14-12/h2-6H,1H3,(H,18,19)(H,13,14,16,17).
What are the key properties of 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid?
2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyrimidin-2-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 43453127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).