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

C12H13ClN4O2 — CID 106105319

IUPAC5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCn1ccc(CCNc2ncc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-17-5-3-9(16-17)2-4-14-11-10(13)6-8(7-15-11)12(18)19/h3,5-7H,2,4H2,1H3,(H,14,15)(H,18,19)
InChIKeyAOKVDLODAGZMEH-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.82
Rot. Bonds5

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

5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 106105319) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID106105319
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCn1ccc(CCNc2ncc(C(=O)O)cc2Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-17-5-3-9(16-17)2-4-14-11-10(13)6-8(7-15-11)12(18)19/h3,5-7H,2,4H2,1H3,(H,14,15)(H,18,19)
InChIKeyAOKVDLODAGZMEH-UHFFFAOYSA-N
XLogP1.82
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]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

3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
5-chloro-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 103007409
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 106105316
5-chloro-6-[2-(4-hydroxyphenyl)ethylamino]pyridine-3-carboxylic acid
CID 61236750
5-chloro-6-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 114125777
5-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 114186371
5-chloro-6-(2-thiomorpholin-4-ylethylamino)pyridine-3-carboxylic acid
CID 114173858
5-chloro-6-(2,3-dimethylbutylamino)pyridine-3-carboxylic acid
CID 64597735
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
5-chloro-6-(2,2-difluoroethylamino)pyridine-3-carboxylic acid
CID 115407319
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
5-chloro-6-[2-[4-(hydroxymethyl)triazol-1-yl]ethylamino]pyridine-3-carboxylic acid
CID 167932861

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid (CID 106105319) is 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid is Cn1ccc(CCNc2ncc(C(=O)O)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is AOKVDLODAGZMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17-5-3-9(16-17)2-4-14-11-10(13)6-8(7-15-11)12(18)19/h3,5-7H,2,4H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid?
5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 280.72 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 106105319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).