3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid

C14H13N3O3 — CID 104740370

IUPAC3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cccnc2C(=O)O)c(C)n1
InChIInChI=1S/C14H13N3O3/c1-8-5-6-10(9(2)16-8)13(18)17-11-4-3-7-15-12(11)14(19)20/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyCRGZEQIJYASJQG-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.04
Rot. Bonds3

About 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid

3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 104740370) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
PubChem CID104740370
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)Nc2cccnc2C(=O)O)c(C)n1
InChIInChI=1S/C14H13N3O3/c1-8-5-6-10(9(2)16-8)13(18)17-11-4-3-7-15-12(11)14(19)20/h3-7H,1-2H3,(H,17,18)(H,19,20)
InChIKeyCRGZEQIJYASJQG-UHFFFAOYSA-N
XLogP2.04
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-hydroxy-2-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 107670919
2-[2-[(2,6-dimethylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 62830254
3-[(2-methyl-5-methylsulfanylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740428
3-[(5-methylpyrazine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104740393
3-[(2-bromo-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739652
3-[(2-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104740167
3-[(2-methoxybenzoyl)amino]pyridine-2-carboxylic acid
CID 104740315
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
2,6-dimethyl-N-(2-phenylsulfanylphenyl)pyridine-3-carboxamide
CID 55870685
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid (CID 104740370) is 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid is Cc1ccc(C(=O)Nc2cccnc2C(=O)O)c(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is CRGZEQIJYASJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-5-6-10(9(2)16-8)13(18)17-11-4-3-7-15-12(11)14(19)20/h3-7H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid?
3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyridine-3-carbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104740370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).