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

C25H24N6O2 — CID 67098629

IUPAC4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(Nc3cc(C)[nH]n3)nc(NCCOc3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H24N6O2/c1-17-14-24(31-30-17)28-23-15-21(18-8-10-19(32-2)11-9-18)22(16-26)25(29-23)27-12-13-33-20-6-4-3-5-7-20/h3-11,14-15H,12-13H2,1-2H3,(H3,27,28,29,30,31)
InChIKeyLAKWVLXCNHTACR-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.89
Rot. Bonds9

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

4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile (PubChem CID 67098629) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile
PubChem CID67098629
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(Nc3cc(C)[nH]n3)nc(NCCOc3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H24N6O2/c1-17-14-24(31-30-17)28-23-15-21(18-8-10-19(32-2)11-9-18)22(16-26)25(29-23)27-12-13-33-20-6-4-3-5-7-20/h3-11,14-15H,12-13H2,1-2H3,(H3,27,28,29,30,31)
InChIKeyLAKWVLXCNHTACR-UHFFFAOYSA-N
XLogP4.89
TPSA107.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.89
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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Related Compounds

4-[5-(4-phenoxyphenyl)-1H-pyrazol-3-yl]morpholine
CID 2806213
[2-(4-methoxy-phenyl)-ethyl]-{2-methoxy-6-[3-(1H-tetrazol-5-yl)-phenyl]-pyrimidin-4-yl}-amine
CID 53319216
2-(2-(6-methylpyridin-3-yloxy)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile
CID 67098566
2-[2-(2-fluorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67098846
2-[2-(2-chlorophenoxy)ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67098971
Pyrazolo[1,5-a]-1,3,5-triazine, 12-12
CID 42618175
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyridin-3-yloxyethylamino)pyridine-3-carbonitrile
CID 11949628
5-[(4-Aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11993962
5-[(4-Aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-propan-2-ylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11994091
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
CID 67097557
2-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67098558
2-[2-[(6-ethyl-3-pyridinyl)oxy]ethylamino]-4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 67098794

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile (CID 67098629) is 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile is COc1ccc(-c2cc(Nc3cc(C)[nH]n3)nc(NCCOc3ccccc3)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile?
The InChIKey is LAKWVLXCNHTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-17-14-24(31-30-17)28-23-15-21(18-8-10-19(32-2)11-9-18)22(16-26)25(29-23)27-12-13-33-20-6-4-3-5-7-20/h3-11,14-15H,12-13H2,1-2H3,(H3,27,28,29,30,31).
What are the key properties of 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile?
4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile has a molecular weight of 440.51 g/mol, XLogP of 4.89, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-phenoxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 67098629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).