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

C19H21N7O — CID 67098566

IUPAC4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
InChIInChI=1S/C19H21N7O/c1-12-8-17(23-18-9-14(3)25-26-18)24-19(16(12)10-20)21-6-7-27-15-5-4-13(2)22-11-15/h4-5,8-9,11H,6-7H2,1-3H3,(H3,21,23,24,25,26)
InChIKeyBOWYXGHFMQMXPT-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.23
Rot. Bonds7

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

4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (PubChem CID 67098566) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
PubChem CID67098566
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1
InChIInChI=1S/C19H21N7O/c1-12-8-17(23-18-9-14(3)25-26-18)24-19(16(12)10-20)21-6-7-27-15-5-4-13(2)22-11-15/h4-5,8-9,11H,6-7H2,1-3H3,(H3,21,23,24,25,26)
InChIKeyBOWYXGHFMQMXPT-UHFFFAOYSA-N
XLogP3.23
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.23
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-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (CID 67098566) is 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)cn1.
What is the InChIKey of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The InChIKey is BOWYXGHFMQMXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12-8-17(23-18-9-14(3)25-26-18)24-19(16(12)10-20)21-6-7-27-15-5-4-13(2)22-11-15/h4-5,8-9,11H,6-7H2,1-3H3,(H3,21,23,24,25,26).
What are the key properties of 4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile has a molecular weight of 363.43 g/mol, XLogP of 3.23, 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-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 67098566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).