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

C20H23N7O — CID 67098558

IUPAC2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)c(C)n1
InChIInChI=1S/C20H23N7O/c1-12-9-18(24-19-10-14(3)26-27-19)25-20(16(12)11-21)22-7-8-28-17-6-5-13(2)23-15(17)4/h5-6,9-10H,7-8H2,1-4H3,(H3,22,24,25,26,27)
InChIKeyKMUQNRCFLITLEM-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.54
Rot. Bonds7

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

2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 67098558) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
PubChem CID67098558
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)c(C)n1
InChIInChI=1S/C20H23N7O/c1-12-9-18(24-19-10-14(3)26-27-19)25-20(16(12)11-21)22-7-8-28-17-6-5-13(2)23-15(17)4/h5-6,9-10H,7-8H2,1-4H3,(H3,22,24,25,26,27)
InChIKeyKMUQNRCFLITLEM-UHFFFAOYSA-N
XLogP3.54
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.54
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 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile (CID 67098558) is 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is Cc1ccc(OCCNc2nc(Nc3cc(C)[nH]n3)cc(C)c2C#N)c(C)n1.
What is the InChIKey of 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is KMUQNRCFLITLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-12-9-18(24-19-10-14(3)26-27-19)25-20(16(12)11-21)22-7-8-28-17-6-5-13(2)23-15(17)4/h5-6,9-10H,7-8H2,1-4H3,(H3,22,24,25,26,27).
What are the key properties of 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile?
2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 67098558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).