3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid

C14H16N4O2 — CID 69238429

IUPAC3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cc(C3CC3)nn2C)c(C(=O)O)n1
InChIInChI=1S/C14H16N4O2/c1-8-3-6-10(13(15-8)14(19)20)16-12-7-11(9-4-5-9)17-18(12)2/h3,6-7,9,16H,4-5H2,1-2H3,(H,19,20)
InChIKeyXDBYOXIPOFQRSX-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.44
Rot. Bonds4

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

3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid (PubChem CID 69238429) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid
PubChem CID69238429
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid
SMILESCc1ccc(Nc2cc(C3CC3)nn2C)c(C(=O)O)n1
InChIInChI=1S/C14H16N4O2/c1-8-3-6-10(13(15-8)14(19)20)16-12-7-11(9-4-5-9)17-18(12)2/h3,6-7,9,16H,4-5H2,1-2H3,(H,19,20)
InChIKeyXDBYOXIPOFQRSX-UHFFFAOYSA-N
XLogP2.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid (CID 69238429) is 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid is Cc1ccc(Nc2cc(C3CC3)nn2C)c(C(=O)O)n1.
What is the InChIKey of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid?
The InChIKey is XDBYOXIPOFQRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-3-6-10(13(15-8)14(19)20)16-12-7-11(9-4-5-9)17-18(12)2/h3,6-7,9,16H,4-5H2,1-2H3,(H,19,20).
What are the key properties of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid?
3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 69238429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).