3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid

C13H11N3O3 — CID 43358933

IUPAC3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
SMILESNC(=O)c1cccnc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3/c14-11(17)10-5-2-6-15-12(10)16-9-4-1-3-8(7-9)13(18)19/h1-7H,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyZMLAREHHICHAFF-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.62
Rot. Bonds4

About 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid

3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid (PubChem CID 43358933) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
PubChem CID43358933
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
SMILESNC(=O)c1cccnc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H11N3O3/c14-11(17)10-5-2-6-15-12(10)16-9-4-1-3-8(7-9)13(18)19/h1-7H,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyZMLAREHHICHAFF-UHFFFAOYSA-N
XLogP1.62
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
CID 43358939
2-(3-nitroanilino)pyridine-3-carboxamide
CID 901913
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid
CID 43517510
3-[[2-(2-aminoethylamino)-5-carbamoylpyrimidin-4-yl]amino]benzoic acid
CID 18460852
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
3-[(2-oxo-1H-pyrazin-3-yl)amino]benzoic acid
CID 114570420
3-chloroaniline;2-(3-chloroanilino)pyridine-3-carboxylic acid
CID 158959245
3-[(2-chloro-3-pyridinyl)amino]benzoic acid
CID 71564651
3-[(2-carbamoylbenzoyl)amino]benzoic acid
CID 4607393
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
4-[(E)-3-(2-anilino-3-pyridinyl)-3-oxoprop-1-enyl]-3-methoxybenzoic acid
CID 141346142

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid?
The IUPAC name of 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid (CID 43358933) is 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid?
The canonical SMILES for 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid is NC(=O)c1cccnc1Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid?
The InChIKey is ZMLAREHHICHAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-11(17)10-5-2-6-15-12(10)16-9-4-1-3-8(7-9)13(18)19/h1-7H,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid?
3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 43358933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).