5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid

C9H12N4O3 — CID 81439195

IUPAC5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
SMILESCN(CC(N)=O)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C9H12N4O3/c1-13(4-7(11)14)8-6(10)2-5(3-12-8)9(15)16/h2-3H,4,10H2,1H3,(H2,11,14)(H,15,16)
InChIKeyDRKYSZXVMXMTIO-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.72
Rot. Bonds4

About 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid

5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid (PubChem CID 81439195) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
PubChem CID81439195
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid
SMILESCN(CC(N)=O)c1ncc(C(=O)O)cc1N
InChIInChI=1S/C9H12N4O3/c1-13(4-7(11)14)8-6(10)2-5(3-12-8)9(15)16/h2-3H,4,10H2,1H3,(H2,11,14)(H,15,16)
InChIKeyDRKYSZXVMXMTIO-UHFFFAOYSA-N
XLogP-0.72
TPSA122.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid (CID 81439195) is 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid is CN(CC(N)=O)c1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid?
The InChIKey is DRKYSZXVMXMTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-13(4-7(11)14)8-6(10)2-5(3-12-8)9(15)16/h2-3H,4,10H2,1H3,(H2,11,14)(H,15,16).
What are the key properties of 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid?
5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-amino-2-oxoethyl)-methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).