4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid

C14H15N3O2 — CID 82785039

IUPAC4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
SMILESNc1ccc(C(=O)O)cc1NCCc1ccccn1
InChIInChI=1S/C14H15N3O2/c15-12-5-4-10(14(18)19)9-13(12)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8,15H2,(H,18,19)
InChIKeyXBMQXQKPCQBTRV-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.02
Rot. Bonds5

About 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid

4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid (PubChem CID 82785039) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
PubChem CID82785039
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
SMILESNc1ccc(C(=O)O)cc1NCCc1ccccn1
InChIInChI=1S/C14H15N3O2/c15-12-5-4-10(14(18)19)9-13(12)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8,15H2,(H,18,19)
InChIKeyXBMQXQKPCQBTRV-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)benzamide
CID 55190342
4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
CID 63361031
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 115468470
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
2-amino-5-(2-pyridin-2-ylethylamino)benzoic acid
CID 60989382
4-amino-3-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 82785461
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
4-amino-3-[(3-methyl-2-pyridinyl)methylamino]benzoic acid
CID 82795636
4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
CID 28902053

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid?
The IUPAC name of 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid (CID 82785039) is 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid.
What is the SMILES notation for 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid?
The canonical SMILES for 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid is Nc1ccc(C(=O)O)cc1NCCc1ccccn1.
What is the InChIKey of 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid?
The InChIKey is XBMQXQKPCQBTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-12-5-4-10(14(18)19)9-13(12)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8,15H2,(H,18,19).
What are the key properties of 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid?
4-amino-3-(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 4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid is sourced from PubChem (CID 82785039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).