5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid

C12H15N5O2 — CID 106106239

IUPAC5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCn1ccc(CCNc2nc(C(=O)O)ccc2N)n1
InChIInChI=1S/C12H15N5O2/c1-17-7-5-8(16-17)4-6-14-11-9(13)2-3-10(15-11)12(18)19/h2-3,5,7H,4,6,13H2,1H3,(H,14,15)(H,18,19)
InChIKeyOBBIGWXTHVTJSA-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.75
Rot. Bonds5

About 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid

5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 106106239) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID106106239
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCn1ccc(CCNc2nc(C(=O)O)ccc2N)n1
InChIInChI=1S/C12H15N5O2/c1-17-7-5-8(16-17)4-6-14-11-9(13)2-3-10(15-11)12(18)19/h2-3,5,7H,4,6,13H2,1H3,(H,14,15)(H,18,19)
InChIKeyOBBIGWXTHVTJSA-UHFFFAOYSA-N
XLogP0.75
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143844
5-amino-6-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114406408
5-amino-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106106257
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 106106169
5-amino-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114404985
5-amino-6-(3-methylsulfinylpropylamino)pyridine-2-carboxylic acid
CID 114407985
5-amino-6-(2-methylbutan-2-ylamino)pyridine-2-carboxylic acid
CID 114404928
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
2-amino-3-fluoro-6-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105322
4-amino-N-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106103991
5-amino-6-(3-sulfamoylpropylamino)pyridine-2-carboxylic acid
CID 114406222

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid (CID 106106239) is 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid is Cn1ccc(CCNc2nc(C(=O)O)ccc2N)n1.
What is the InChIKey of 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is OBBIGWXTHVTJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17-7-5-8(16-17)4-6-14-11-9(13)2-3-10(15-11)12(18)19/h2-3,5,7H,4,6,13H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid?
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 261.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 106106239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).