2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine

C14H20N2O — CID 118423084

IUPAC2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine
SMILESCC1C=CC(C2=CCN(C3COC3)CC2)=CN1
InChIInChI=1S/C14H20N2O/c1-11-2-3-13(8-15-11)12-4-6-16(7-5-12)14-9-17-10-14/h2-4,8,11,14-15H,5-7,9-10H2,1H3
InChIKeyCXGFUCVEUKLYCC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.45
Rot. Bonds2

About 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine

2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine (PubChem CID 118423084) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine
PubChem CID118423084
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine
SMILESCC1C=CC(C2=CCN(C3COC3)CC2)=CN1
InChIInChI=1S/C14H20N2O/c1-11-2-3-13(8-15-11)12-4-6-16(7-5-12)14-9-17-10-14/h2-4,8,11,14-15H,5-7,9-10H2,1H3
InChIKeyCXGFUCVEUKLYCC-UHFFFAOYSA-N
XLogP1.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methoxyethanamine
CID 89311458
4-Ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
2-(2-Methoxyethyl)-1,3,4,8-tetrahydro-2-benzazepin-8-amine
CID 118272628
N-(2-methoxyethyl)-N,4-dimethyl-2-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
CID 142350896
2-(5,6-dihydro-1H-indol-3-yl)-N-(2-methoxyethyl)ethanamine
CID 142862512
N-ethyl-2-[3-[ethyl(2-methoxyethyl)amino]propyl]cyclohepta-1,4,6-trien-1-amine
CID 143063234
(4E,6Z)-4-ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 144056576
5-Methyl-4-morpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 147738193
1-(oxetan-3-yl)-N-(6-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 167456979
(2Z)-4-N-ethenyl-3-ethyl-4-N-(1-methoxy-2-methylpropan-2-yl)-1-N-methylpenta-2,4-diene-1,4-diamine
CID 173738665
3-Methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine
CID 15742428
N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]oxetan-3-amine
CID 131155496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine?
The IUPAC name of 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine (CID 118423084) is 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine is CC1C=CC(C2=CCN(C3COC3)CC2)=CN1.
What is the InChIKey of 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine?
The InChIKey is CXGFUCVEUKLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-2-3-13(8-15-11)12-4-6-16(7-5-12)14-9-17-10-14/h2-4,8,11,14-15H,5-7,9-10H2,1H3.
What are the key properties of 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine?
2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine has a molecular weight of 232.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-1,2-dihydropyridine is sourced from PubChem (CID 118423084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).