4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide

C24H20N6O3 — CID 66631651

IUPAC4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
InChIInChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32)
InChIKeyRIKWPWBAAMITPO-UHFFFAOYSA-N
MW440.46 g/mol
LogP2.01
Rot. Bonds6

About 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide

4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide (PubChem CID 66631651) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide
PubChem CID66631651
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1
InChIInChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32)
InChIKeyRIKWPWBAAMITPO-UHFFFAOYSA-N
XLogP2.01
TPSA135.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide 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 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide (CID 66631651) is 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(COc2nc(N3CC(O)C3)c(C#N)c(-c3ccccc3)c2C#N)ccn1.
What is the InChIKey of 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is RIKWPWBAAMITPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3/c1-27-23(32)20-9-15(7-8-28-20)14-33-24-19(11-26)21(16-5-3-2-4-6-16)18(10-25)22(29-24)30-12-17(31)13-30/h2-9,17,31H,12-14H2,1H3,(H,27,32).
What are the key properties of 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide?
4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dicyano-6-(3-hydroxyazetidin-1-yl)-4-phenyl-2-pyridinyl]oxymethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 66631651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).