5-amino-2-(benzylamino)pyridine-3-carboxylic acid

C13H13N3O2 — CID 82477976

IUPAC5-amino-2-(benzylamino)pyridine-3-carboxylic acid
SMILESNc1cnc(NCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C13H13N3O2/c14-10-6-11(13(17)18)12(16-8-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7,14H2,(H,15,16)(H,17,18)
InChIKeySRQNZZNXYGCLBQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.97
Rot. Bonds4

About 5-amino-2-(benzylamino)pyridine-3-carboxylic acid

5-amino-2-(benzylamino)pyridine-3-carboxylic acid (PubChem CID 82477976) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-amino-2-(benzylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(benzylamino)pyridine-3-carboxylic acid
PubChem CID82477976
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-amino-2-(benzylamino)pyridine-3-carboxylic acid
SMILESNc1cnc(NCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C13H13N3O2/c14-10-6-11(13(17)18)12(16-8-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7,14H2,(H,15,16)(H,17,18)
InChIKeySRQNZZNXYGCLBQ-UHFFFAOYSA-N
XLogP1.97
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 82475430
5-amino-2-anilinopyridine-3-carboxylic acid
CID 82474001
5-amino-2-(2-methylpropylamino)pyridine-3-carboxylic acid
CID 82470655
5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 61359752
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
5-amino-N-benzyl-2-methylpyridine-3-carboxamide
CID 54917003
5-amino-2-(octylamino)pyridine-3-carboxylic acid
CID 114047314
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
5-bromo-2-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62000351
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
5-amino-2-[(2-ethyl-2-methylsulfanylbutyl)amino]pyridine-3-carboxylic acid
CID 114117482
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(benzylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(benzylamino)pyridine-3-carboxylic acid (CID 82477976) is 5-amino-2-(benzylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(benzylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(benzylamino)pyridine-3-carboxylic acid is Nc1cnc(NCc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(benzylamino)pyridine-3-carboxylic acid?
The InChIKey is SRQNZZNXYGCLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-10-6-11(13(17)18)12(16-8-10)15-7-9-4-2-1-3-5-9/h1-6,8H,7,14H2,(H,15,16)(H,17,18).
What are the key properties of 5-amino-2-(benzylamino)pyridine-3-carboxylic acid?
5-amino-2-(benzylamino)pyridine-3-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(benzylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82477976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).