2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride

C15H20ClN5O2 — CID 67388256

IUPAC2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
SMILESCN1CCC(n2cc(-c3cnc(N)c(C(=O)O)c3)cn2)CC1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-19-4-2-12(3-5-19)20-9-11(8-18-20)10-6-13(15(21)22)14(16)17-7-10;/h6-9,12H,2-5H2,1H3,(H2,16,17)(H,21,22);1H
InChIKeyDZNMZRPDHPSCBI-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.91
Rot. Bonds3

About 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride

2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride (PubChem CID 67388256) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
PubChem CID67388256
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
SMILESCN1CCC(n2cc(-c3cnc(N)c(C(=O)O)c3)cn2)CC1.Cl
InChIInChI=1S/C15H19N5O2.ClH/c1-19-4-2-12(3-5-19)20-9-11(8-18-20)10-6-13(15(21)22)14(16)17-7-10;/h6-9,12H,2-5H2,1H3,(H2,16,17)(H,21,22);1H
InChIKeyDZNMZRPDHPSCBI-UHFFFAOYSA-N
XLogP1.91
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride?
The IUPAC name of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride (CID 67388256) is 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride is CN1CCC(n2cc(-c3cnc(N)c(C(=O)O)c3)cn2)CC1.Cl.
What is the InChIKey of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride?
The InChIKey is DZNMZRPDHPSCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2.ClH/c1-19-4-2-12(3-5-19)20-9-11(8-18-20)10-6-13(15(21)22)14(16)17-7-10;/h6-9,12H,2-5H2,1H3,(H2,16,17)(H,21,22);1H.
What are the key properties of 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride?
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride has a molecular weight of 337.81 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 67388256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).