2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid

C13H13N3O2 — CID 82556129

IUPAC2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
SMILESNCc1cccc(-c2cnc(N)c(C(=O)O)c2)c1
InChIInChI=1S/C13H13N3O2/c14-6-8-2-1-3-9(4-8)10-5-11(13(17)18)12(15)16-7-10/h1-5,7H,6,14H2,(H2,15,16)(H,17,18)
InChIKeyONAUOFHWHUOJGX-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.49
Rot. Bonds3

About 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid

2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 82556129) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID82556129
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
SMILESNCc1cccc(-c2cnc(N)c(C(=O)O)c2)c1
InChIInChI=1S/C13H13N3O2/c14-6-8-2-1-3-9(4-8)10-5-11(13(17)18)12(15)16-7-10/h1-5,7H,6,14H2,(H2,15,16)(H,17,18)
InChIKeyONAUOFHWHUOJGX-UHFFFAOYSA-N
XLogP1.49
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[3-(3-hydroxypropyl)phenyl]pyridine-3-carboxamide
CID 126676205
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
CID 150308140
2-amino-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 126675392
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 82556225
5-(3-aminophenyl)-2-methylpyridine-3-carboxylic acid
CID 174494302
2-amino-5-[3-(aminomethyl)phenyl]-N-[(1S,2S)-2-[(3,4-dimethylphenoxy)methyl]cyclopentyl]pyridine-3-carboxamide
CID 166560947
2-amino-N-[(3R)-1-[[4-[3-(aminomethyl)phenyl]phenyl]carbamoyl]pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326117
4-[1-[2-amino-5-[3-(3-aminopropanoylamino)phenyl]-3-pyridinyl]ethenyl]benzoic acid
CID 143241348
2-amino-5-(2-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222773
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
2-[[6-[3-[3-(aminomethyl)phenyl]phenoxy]-3,5-difluoro-4-methyl-2-pyridinyl]oxy]-4-fluorobenzoic acid
CID 69497137

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid (CID 82556129) is 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid is NCc1cccc(-c2cnc(N)c(C(=O)O)c2)c1.
What is the InChIKey of 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is ONAUOFHWHUOJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-6-8-2-1-3-9(4-8)10-5-11(13(17)18)12(15)16-7-10/h1-5,7H,6,14H2,(H2,15,16)(H,17,18).
What are the key properties of 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid?
2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 82556129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).