2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile

C14H12N6O — CID 155551596

IUPAC2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCO)c(C#N)c1-c1cccnc1
InChIInChI=1S/C14H12N6O/c15-6-10-12(9-2-1-3-18-8-9)11(7-16)14(19-4-5-21)20-13(10)17/h1-3,8,21H,4-5H2,(H3,17,19,20)
InChIKeyPBLMBFZMZGQHIP-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.87
Rot. Bonds4

About 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile

2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile (PubChem CID 155551596) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
PubChem CID155551596
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(NCCO)c(C#N)c1-c1cccnc1
InChIInChI=1S/C14H12N6O/c15-6-10-12(9-2-1-3-18-8-9)11(7-16)14(19-4-5-21)20-13(10)17/h1-3,8,21H,4-5H2,(H3,17,19,20)
InChIKeyPBLMBFZMZGQHIP-UHFFFAOYSA-N
XLogP0.87
TPSA131.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile (CID 155551596) is 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(NCCO)c(C#N)c1-c1cccnc1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
The InChIKey is PBLMBFZMZGQHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c15-6-10-12(9-2-1-3-18-8-9)11(7-16)14(19-4-5-21)20-13(10)17/h1-3,8,21H,4-5H2,(H3,17,19,20).
What are the key properties of 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile has a molecular weight of 280.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylamino)-4-pyridin-3-ylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155551596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).