4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile

C20H24N4O — CID 70924718

IUPAC4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(C3CCCCC3)cc2)cc(N)c1C#N
InChIInChI=1S/C20H24N4O/c1-2-25-20-17(13-21)18(22)12-19(24-20)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H3,22,23,24)
InChIKeyHFEZLORTGYXFQF-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.73
Rot. Bonds5

About 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile

4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile (PubChem CID 70924718) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
PubChem CID70924718
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(C3CCCCC3)cc2)cc(N)c1C#N
InChIInChI=1S/C20H24N4O/c1-2-25-20-17(13-21)18(22)12-19(24-20)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H3,22,23,24)
InChIKeyHFEZLORTGYXFQF-UHFFFAOYSA-N
XLogP4.73
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile (CID 70924718) is 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile is CCOc1nc(Nc2ccc(C3CCCCC3)cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile?
The InChIKey is HFEZLORTGYXFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-25-20-17(13-21)18(22)12-19(24-20)23-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H3,22,23,24).
What are the key properties of 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile?
4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile has a molecular weight of 336.44 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-cyclohexylanilino)-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 70924718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).