2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile

C22H20N6O2 — CID 169151886

IUPAC2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile
SMILESCN(Cc1cccnc1)c1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
InChIInChI=1S/C22H20N6O2/c1-28(14-15-3-2-8-26-13-15)22-19(12-24)20(18(11-23)21(25)27-22)16-4-6-17(7-5-16)30-10-9-29/h2-8,13,29H,9-10,14H2,1H3,(H2,25,27)
InChIKeyOUHDSXYRLCKXOG-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.48
Rot. Bonds7

About 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile

2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile (PubChem CID 169151886) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile
PubChem CID169151886
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile
SMILESCN(Cc1cccnc1)c1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N
InChIInChI=1S/C22H20N6O2/c1-28(14-15-3-2-8-26-13-15)22-19(12-24)20(18(11-23)21(25)27-22)16-4-6-17(7-5-16)30-10-9-29/h2-8,13,29H,9-10,14H2,1H3,(H2,25,27)
InChIKeyOUHDSXYRLCKXOG-UHFFFAOYSA-N
XLogP2.48
TPSA132.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile 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

2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-[(1S)-1-pyridin-3-ylethyl]sulfanylpyridine-3,5-dicarbonitrile
CID 169151836
2-amino-6-(2-cyanoethylsulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151815
2-amino-6-benzylsulfanyl-4-[4-[2-(dimethylamino)ethoxy]phenyl]pyridine-3,5-dicarbonitrile
CID 68706205
3-amino-5-[methyl(pyridin-3-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379514
3-[[6-amino-3,5-dicyano-4-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]sulfanylmethyl]-N-ethylbenzamide
CID 66631266
2-chloro-4-[4-(2-hydroxyethoxy)phenyl]-6-methoxypyridine-3,5-dicarbonitrile
CID 86654213
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-(1,3-oxazol-4-ylmethoxy)pyridine-3,5-dicarbonitrile
CID 143752786
2-amino-6-benzylsulfanyl-4-[4-(2-methoxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710001
[2-[methyl(pyridin-3-ylmethyl)amino]-3-pyridinyl]methanol
CID 61255832
2-amino-4-(4-methoxyphenyl)-6-(2-oxo-2-pyridin-3-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 58739426

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile (CID 169151886) is 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile is CN(Cc1cccnc1)c1nc(N)c(C#N)c(-c2ccc(OCCO)cc2)c1C#N.
What is the InChIKey of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile?
The InChIKey is OUHDSXYRLCKXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-28(14-15-3-2-8-26-13-15)22-19(12-24)20(18(11-23)21(25)27-22)16-4-6-17(7-5-16)30-10-9-29/h2-8,13,29H,9-10,14H2,1H3,(H2,25,27).
What are the key properties of 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile has a molecular weight of 400.44 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169151886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).