3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid

C13H11N3O3 — CID 43517510

IUPAC3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid
SMILESNC(=O)c1cc(Nc2cccc(C(=O)O)c2)ccn1
InChIInChI=1S/C13H11N3O3/c14-12(17)11-7-10(4-5-15-11)16-9-3-1-2-8(6-9)13(18)19/h1-7H,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyWZYXZUATNYGELR-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.62
Rot. Bonds4

About 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid

3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid (PubChem CID 43517510) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid
PubChem CID43517510
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid
SMILESNC(=O)c1cc(Nc2cccc(C(=O)O)c2)ccn1
InChIInChI=1S/C13H11N3O3/c14-12(17)11-7-10(4-5-15-11)16-9-3-1-2-8(6-9)13(18)19/h1-7H,(H2,14,17)(H,15,16)(H,18,19)
InChIKeyWZYXZUATNYGELR-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-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
N-(3-acetylphenyl)-4-anilinopyridine-2-carboxamide
CID 109218881
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
3-(1H-pyrazol-4-ylamino)benzoic acid
CID 115022807
3-carbamoylbenzoic acid
CID 3014284
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
methyl 3-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]amino]benzoate
CID 109201433
3-[(4-aminopyrimidin-2-yl)amino]benzamide
CID 107811877
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598
3-[(2-chloro-3-pyridinyl)amino]benzoic acid
CID 71564651
4-[(2-methyl-2-phenylpropyl)amino]pyridine-2-carboxamide
CID 60988141

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid?
The IUPAC name of 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid (CID 43517510) is 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid?
The canonical SMILES for 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid is NC(=O)c1cc(Nc2cccc(C(=O)O)c2)ccn1.
What is the InChIKey of 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid?
The InChIKey is WZYXZUATNYGELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-12(17)11-7-10(4-5-15-11)16-9-3-1-2-8(6-9)13(18)19/h1-7H,(H2,14,17)(H,15,16)(H,18,19).
What are the key properties of 3-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid?
3-[(2-carbamoyl-4-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-[(2-carbamoyl-4-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 43517510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).