4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile

C18H22N4O3 — CID 11638719

IUPAC4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NCCc2cc(OC)ccc2OC)cc(N)c1C#N
InChIInChI=1S/C18H22N4O3/c1-4-25-18-14(11-19)15(20)10-17(22-18)21-8-7-12-9-13(23-2)5-6-16(12)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H3,20,21,22)
InChIKeyFQKRCTGZAXBPRF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.61
Rot. Bonds8

About 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile

4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile (PubChem CID 11638719) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile
PubChem CID11638719
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NCCc2cc(OC)ccc2OC)cc(N)c1C#N
InChIInChI=1S/C18H22N4O3/c1-4-25-18-14(11-19)15(20)10-17(22-18)21-8-7-12-9-13(23-2)5-6-16(12)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H3,20,21,22)
InChIKeyFQKRCTGZAXBPRF-UHFFFAOYSA-N
XLogP2.61
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile (CID 11638719) is 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile is CCOc1nc(NCCc2cc(OC)ccc2OC)cc(N)c1C#N.
What is the InChIKey of 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile?
The InChIKey is FQKRCTGZAXBPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-25-18-14(11-19)15(20)10-17(22-18)21-8-7-12-9-13(23-2)5-6-16(12)24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H3,20,21,22).
What are the key properties of 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile?
4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile has a molecular weight of 342.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(2,5-dimethoxyphenyl)ethylamino]-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 11638719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).