2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile

C23H24N6O2 — CID 169411886

IUPAC2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile
SMILESCOc1ccc(O)cc1-c1cc(-c2cnc(N3CCCCC3)nc2C)nc(N)c1C#N
InChIInChI=1S/C23H24N6O2/c1-14-19(13-26-23(27-14)29-8-4-3-5-9-29)20-11-16(18(12-24)22(25)28-20)17-10-15(30)6-7-21(17)31-2/h6-7,10-11,13,30H,3-5,8-9H2,1-2H3,(H2,25,28)
InChIKeyTYIPLQRVTOTKKA-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.67
Rot. Bonds4

About 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile

2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile (PubChem CID 169411886) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile
PubChem CID169411886
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile
SMILESCOc1ccc(O)cc1-c1cc(-c2cnc(N3CCCCC3)nc2C)nc(N)c1C#N
InChIInChI=1S/C23H24N6O2/c1-14-19(13-26-23(27-14)29-8-4-3-5-9-29)20-11-16(18(12-24)22(25)28-20)17-10-15(30)6-7-21(17)31-2/h6-7,10-11,13,30H,3-5,8-9H2,1-2H3,(H2,25,28)
InChIKeyTYIPLQRVTOTKKA-UHFFFAOYSA-N
XLogP3.67
TPSA121.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-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-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile (CID 169411886) is 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile is COc1ccc(O)cc1-c1cc(-c2cnc(N3CCCCC3)nc2C)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile?
The InChIKey is TYIPLQRVTOTKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-19(13-26-23(27-14)29-8-4-3-5-9-29)20-11-16(18(12-24)22(25)28-20)17-10-15(30)6-7-21(17)31-2/h6-7,10-11,13,30H,3-5,8-9H2,1-2H3,(H2,25,28).
What are the key properties of 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile?
2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile has a molecular weight of 416.49 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-hydroxy-2-methoxyphenyl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 169411886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).