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

C17H20N4O3 — CID 11846457

IUPAC4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NCc2cc(OC)ccc2OC)cc(N)c1C#N
InChIInChI=1S/C17H20N4O3/c1-4-24-17-13(9-18)14(19)8-16(21-17)20-10-11-7-12(22-2)5-6-15(11)23-3/h5-8H,4,10H2,1-3H3,(H3,19,20,21)
InChIKeyJIQIVSONTICDKE-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.56
Rot. Bonds7

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

4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile (PubChem CID 11846457) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile
PubChem CID11846457
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile
SMILESCCOc1nc(NCc2cc(OC)ccc2OC)cc(N)c1C#N
InChIInChI=1S/C17H20N4O3/c1-4-24-17-13(9-18)14(19)8-16(21-17)20-10-11-7-12(22-2)5-6-15(11)23-3/h5-8H,4,10H2,1-3H3,(H3,19,20,21)
InChIKeyJIQIVSONTICDKE-UHFFFAOYSA-N
XLogP2.56
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile?
The IUPAC name of 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile (CID 11846457) is 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile is CCOc1nc(NCc2cc(OC)ccc2OC)cc(N)c1C#N.
What is the InChIKey of 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile?
The InChIKey is JIQIVSONTICDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-4-24-17-13(9-18)14(19)8-16(21-17)20-10-11-7-12(22-2)5-6-15(11)23-3/h5-8H,4,10H2,1-3H3,(H3,19,20,21).
What are the key properties of 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile?
4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile has a molecular weight of 328.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[(2,5-dimethoxyphenyl)methylamino]-2-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 11846457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).