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

C18H19N7O — CID 67098869

IUPAC4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1
InChIInChI=1S/C18H19N7O/c1-12-9-15(22-16-10-13(2)24-25-16)23-18(14(12)11-19)21-7-8-26-17-5-3-4-6-20-17/h3-6,9-10H,7-8H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyPQYAPEIRQCOGCC-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.92
Rot. Bonds7

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

4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile (PubChem CID 67098869) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile
PubChem CID67098869
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile
SMILESCc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1
InChIInChI=1S/C18H19N7O/c1-12-9-15(22-16-10-13(2)24-25-16)23-18(14(12)11-19)21-7-8-26-17-5-3-4-6-20-17/h3-6,9-10H,7-8H2,1-2H3,(H3,21,22,23,24,25)
InChIKeyPQYAPEIRQCOGCC-UHFFFAOYSA-N
XLogP2.92
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile (CID 67098869) is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile is Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccn3)n2)n[nH]1.
What is the InChIKey of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile?
The InChIKey is PQYAPEIRQCOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-12-9-15(22-16-10-13(2)24-25-16)23-18(14(12)11-19)21-7-8-26-17-5-3-4-6-20-17/h3-6,9-10H,7-8H2,1-2H3,(H3,21,22,23,24,25).
What are the key properties of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile?
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-2-yloxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 67098869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).