2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid

C12H9N3O3 — CID 55246558

IUPAC2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccncc1
InChIInChI=1S/C12H9N3O3/c16-11(8-3-6-13-7-4-8)15-10-9(12(17)18)2-1-5-14-10/h1-7H,(H,17,18)(H,14,15,16)
InChIKeyMGSXKWIMZXZDPJ-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.43
Rot. Bonds3

About 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid

2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid (PubChem CID 55246558) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
PubChem CID55246558
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccncc1
InChIInChI=1S/C12H9N3O3/c16-11(8-3-6-13-7-4-8)15-10-9(12(17)18)2-1-5-14-10/h1-7H,(H,17,18)(H,14,15,16)
InChIKeyMGSXKWIMZXZDPJ-UHFFFAOYSA-N
XLogP1.43
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
CID 63652531
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
CID 63651994
2-[(3-methyl-2-pyridinyl)carbamoyl]benzoic acid
CID 738391
2-[(2-chloro-5-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 106500292

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid (CID 55246558) is 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid is O=C(Nc1ncccc1C(=O)O)c1ccncc1.
What is the InChIKey of 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid?
The InChIKey is MGSXKWIMZXZDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c16-11(8-3-6-13-7-4-8)15-10-9(12(17)18)2-1-5-14-10/h1-7H,(H,17,18)(H,14,15,16).
What are the key properties of 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid?
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 55246558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).