2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile

C20H24N4O2 — CID 135482239

IUPAC2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
InChIInChI=1S/C20H24N4O2/c1-2-9-26-18-7-3-6-17(25)19(18)16-10-14(13-5-4-8-23-12-13)15(11-21)20(22)24-16/h3,6-7,10,13,23,25H,2,4-5,8-9,12H2,1H3,(H2,22,24)
InChIKeyMOMLCJXOIMMUMB-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.16
Rot. Bonds5

About 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile

2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (PubChem CID 135482239) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
PubChem CID135482239
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESCCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
InChIInChI=1S/C20H24N4O2/c1-2-9-26-18-7-3-6-17(25)19(18)16-10-14(13-5-4-8-23-12-13)15(11-21)20(22)24-16/h3,6-7,10,13,23,25H,2,4-5,8-9,12H2,1H3,(H2,22,24)
InChIKeyMOMLCJXOIMMUMB-UHFFFAOYSA-N
XLogP3.16
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile 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-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (CID 135482239) is 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is CCCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The InChIKey is MOMLCJXOIMMUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-9-26-18-7-3-6-17(25)19(18)16-10-14(13-5-4-8-23-12-13)15(11-21)20(22)24-16/h3,6-7,10,13,23,25H,2,4-5,8-9,12H2,1H3,(H2,22,24).
What are the key properties of 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxy-6-propoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135482239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).