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

C19H19FN6O — CID 67098846

IUPAC2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1
InChIInChI=1S/C19H19FN6O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(14(12)11-21)22-7-8-27-16-6-4-3-5-15(16)20/h3-6,9-10H,7-8H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyAWLBOIUGNGQJSU-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.67
Rot. Bonds7

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

2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 67098846) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
PubChem CID67098846
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1
InChIInChI=1S/C19H19FN6O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(14(12)11-21)22-7-8-27-16-6-4-3-5-15(16)20/h3-6,9-10H,7-8H2,1-2H3,(H3,22,23,24,25,26)
InChIKeyAWLBOIUGNGQJSU-UHFFFAOYSA-N
XLogP3.67
TPSA98.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(2-fluorophenoxy)ethylamino]-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-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 67098846) is 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3F)n2)n[nH]1.
What is the InChIKey of 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is AWLBOIUGNGQJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12-9-17(23-18-10-13(2)25-26-18)24-19(14(12)11-21)22-7-8-27-16-6-4-3-5-15(16)20/h3-6,9-10H,7-8H2,1-2H3,(H3,22,23,24,25,26).
What are the key properties of 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 366.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 67098846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).