4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

C14H19N3O2 — CID 81043326

IUPAC4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC2(O)CCOCC2)c(C#N)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-10-7-13(12(8-15)11(2)17-10)16-9-14(18)3-5-19-6-4-14/h7,18H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyAXFZXYBXYZLUDC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds3

About 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81043326) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81043326
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCC2(O)CCOCC2)c(C#N)c(C)n1
InChIInChI=1S/C14H19N3O2/c1-10-7-13(12(8-15)11(2)17-10)16-9-14(18)3-5-19-6-4-14/h7,18H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyAXFZXYBXYZLUDC-UHFFFAOYSA-N
XLogP1.52
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-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 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81043326) is 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCC2(O)CCOCC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is AXFZXYBXYZLUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-7-13(12(8-15)11(2)17-10)16-9-14(18)3-5-19-6-4-14/h7,18H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyoxan-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81043326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).