3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile

C15H16N4O — CID 62981428

IUPAC3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile
SMILESCCOc1nc(N(C)c2cccc(C#N)c2)ccc1N
InChIInChI=1S/C15H16N4O/c1-3-20-15-13(17)7-8-14(18-15)19(2)12-6-4-5-11(9-12)10-16/h4-9H,3,17H2,1-2H3
InChIKeyHMEJGUDVUDXPDX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.70
Rot. Bonds4

About 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile

3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile (PubChem CID 62981428) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile
PubChem CID62981428
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile
SMILESCCOc1nc(N(C)c2cccc(C#N)c2)ccc1N
InChIInChI=1S/C15H16N4O/c1-3-20-15-13(17)7-8-14(18-15)19(2)12-6-4-5-11(9-12)10-16/h4-9H,3,17H2,1-2H3
InChIKeyHMEJGUDVUDXPDX-UHFFFAOYSA-N
XLogP2.70
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-amino-6-propoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981083
3-[[2-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80824345
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]benzonitrile
CID 62983235
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102718398
6-ethoxy-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,5-diamine
CID 60913529
3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid
CID 62982531
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
CID 80958140
3-[(5-amino-6-propoxy-2-pyridinyl)oxy]benzonitrile
CID 43262343

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile?
The IUPAC name of 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile (CID 62981428) is 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile.
What is the SMILES notation for 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile?
The canonical SMILES for 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile is CCOc1nc(N(C)c2cccc(C#N)c2)ccc1N.
What is the InChIKey of 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile?
The InChIKey is HMEJGUDVUDXPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-20-15-13(17)7-8-14(18-15)19(2)12-6-4-5-11(9-12)10-16/h4-9H,3,17H2,1-2H3.
What are the key properties of 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile?
3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile is sourced from PubChem (CID 62981428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).