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

C20H23N7O — CID 67098905

IUPAC6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCCc1cc(Nc2ccc(C#N)c(NCCOc3cccnc3CC)n2)n[nH]1
InChIInChI=1S/C20H23N7O/c1-3-15-12-19(27-26-15)24-18-8-7-14(13-21)20(25-18)23-10-11-28-17-6-5-9-22-16(17)4-2/h5-9,12H,3-4,10-11H2,1-2H3,(H3,23,24,25,26,27)
InChIKeyHXAVJSDAOGPQLB-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.43
Rot. Bonds9

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

6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (PubChem CID 67098905) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
PubChem CID67098905
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
SMILESCCc1cc(Nc2ccc(C#N)c(NCCOc3cccnc3CC)n2)n[nH]1
InChIInChI=1S/C20H23N7O/c1-3-15-12-19(27-26-15)24-18-8-7-14(13-21)20(25-18)23-10-11-28-17-6-5-9-22-16(17)4-2/h5-9,12H,3-4,10-11H2,1-2H3,(H3,23,24,25,26,27)
InChIKeyHXAVJSDAOGPQLB-UHFFFAOYSA-N
XLogP3.43
TPSA111.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.43
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

6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
CID 67098352
6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile;dihydrochloride
CID 67098880
4-cyclopropyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-methyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile
CID 67098658
4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(2-pyrimidin-2-yloxyethylamino)pyridine-3-carbonitrile
CID 67098729
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
2-(2-butoxyethylamino)pyridine-3-carbonitrile
CID 61175093
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-[(6-methyl-3-pyridinyl)oxy]ethylamino]-4-thiophen-2-ylpyridine-3-carbonitrile
CID 67098575
3-[(1R,5S)-3-[[7-[(5-ethyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 146645173
2-[(3-ethyl-2-pyridinyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82737349
N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91262497
2-ethyl-3-(methoxymethoxy)pyridine
CID 20598170

Frequently Asked Questions

What is the IUPAC name of 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile (CID 67098905) is 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is CCc1cc(Nc2ccc(C#N)c(NCCOc3cccnc3CC)n2)n[nH]1.
What is the InChIKey of 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
The InChIKey is HXAVJSDAOGPQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-3-15-12-19(27-26-15)24-18-8-7-14(13-21)20(25-18)23-10-11-28-17-6-5-9-22-16(17)4-2/h5-9,12H,3-4,10-11H2,1-2H3,(H3,23,24,25,26,27).
What are the key properties of 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile?
6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 3.43, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-[2-[(2-ethyl-3-pyridinyl)oxy]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 67098905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).