2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid

C14H15N3O2 — CID 60989382

IUPAC2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
SMILESNc1ccc(NCCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C14H15N3O2/c15-13-5-4-11(9-12(13)14(18)19)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,17H,6,8,15H2,(H,18,19)
InChIKeyYPQNOCGQHOIFFN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid

2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid (PubChem CID 60989382) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
PubChem CID60989382
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
SMILESNc1ccc(NCCc2ccccn2)cc1C(=O)O
InChIInChI=1S/C14H15N3O2/c15-13-5-4-11(9-12(13)14(18)19)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,17H,6,8,15H2,(H,18,19)
InChIKeyYPQNOCGQHOIFFN-UHFFFAOYSA-N
XLogP2.02
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
CID 82785039
2-amino-5-(2-pyridin-2-ylethoxy)benzoic acid
CID 60988228
4-amino-3-(2-pyridin-2-ylethylamino)benzamide
CID 55190342
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
5-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 112646911
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
3-amino-2-(2-pyridin-2-ylethylamino)benzamide
CID 112577927
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
2-amino-5-(1,2-oxazol-5-ylmethylamino)benzoic acid
CID 106422640

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid?
The IUPAC name of 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid (CID 60989382) is 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid.
What is the SMILES notation for 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid?
The canonical SMILES for 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid is Nc1ccc(NCCc2ccccn2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid?
The InChIKey is YPQNOCGQHOIFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-13-5-4-11(9-12(13)14(18)19)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,17H,6,8,15H2,(H,18,19).
What are the key properties of 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid?
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid has a molecular weight of 257.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid is sourced from PubChem (CID 60989382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).