5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid

C9H11N3O2 — CID 82469001

IUPAC5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid
SMILESC=CCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C9H11N3O2/c1-2-3-11-8-7(10)4-6(5-12-8)9(13)14/h2,4-5H,1,3,10H2,(H,11,12)(H,13,14)
InChIKeyJFVYQTLVFAOYAS-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.96
Rot. Bonds4

About 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid

5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid (PubChem CID 82469001) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid
PubChem CID82469001
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid
SMILESC=CCNc1ncc(C(=O)O)cc1N
InChIInChI=1S/C9H11N3O2/c1-2-3-11-8-7(10)4-6(5-12-8)9(13)14/h2,4-5H,1,3,10H2,(H,11,12)(H,13,14)
InChIKeyJFVYQTLVFAOYAS-UHFFFAOYSA-N
XLogP0.96
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-[2-(carbamoylamino)ethylamino]pyridine-3-carboxylic acid
CID 83115123
5-amino-6-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81439673
5-amino-6-[3-(diethylamino)propylamino]pyridine-3-carboxylic acid
CID 81439291
5-amino-6-[(3-methoxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 81439410
5-amino-6-[(4-methylthiophen-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81439609
5-amino-6-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxylic acid
CID 114126633
5-amino-6-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 81439435
5-amino-6-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 112671919
5-amino-6-(1,4-dioxan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81440048
5,6-diaminopyridine-3-carboxylic acid
CID 22476298
5-amino-6-(cyclooctylamino)pyridine-3-carboxylic acid
CID 81438891
5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 114129018

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid (CID 82469001) is 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid is C=CCNc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid?
The InChIKey is JFVYQTLVFAOYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-2-3-11-8-7(10)4-6(5-12-8)9(13)14/h2,4-5H,1,3,10H2,(H,11,12)(H,13,14).
What are the key properties of 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid?
5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(prop-2-enylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82469001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).