2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

C17H24N6O — CID 54581629

IUPAC2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)n[nH]1
InChIInChI=1S/C17H24N6O/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-18)19-7-5-3-4-6-8-24/h9-10,24H,3-8H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyBGZBKWGPSXTOCT-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.00
Rot. Bonds9

About 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile

2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 54581629) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
PubChem CID54581629
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)n[nH]1
InChIInChI=1S/C17H24N6O/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-18)19-7-5-3-4-6-8-24/h9-10,24H,3-8H2,1-2H3,(H3,19,20,21,22,23)
InChIKeyBGZBKWGPSXTOCT-UHFFFAOYSA-N
XLogP3.00
TPSA109.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 54581629) is 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)n[nH]1.
What is the InChIKey of 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is BGZBKWGPSXTOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-18)19-7-5-3-4-6-8-24/h9-10,24H,3-8H2,1-2H3,(H3,19,20,21,22,23).
What are the key properties of 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 328.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexylamino)-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 54581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).