4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile

C19H22N2O2 — CID 122138535

IUPAC4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
SMILESCc1cccc(C2=CCN(C(=O)C3(C#N)CCOCC3)CC2)c1
InChIInChI=1S/C19H22N2O2/c1-15-3-2-4-17(13-15)16-5-9-21(10-6-16)18(22)19(14-20)7-11-23-12-8-19/h2-5,13H,6-12H2,1H3
InChIKeyXEFKIOGWMCVXNO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.93
Rot. Bonds2

About 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile

4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile (PubChem CID 122138535) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile.

Molecular Properties

Compound Name4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
PubChem CID122138535
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile
SMILESCc1cccc(C2=CCN(C(=O)C3(C#N)CCOCC3)CC2)c1
InChIInChI=1S/C19H22N2O2/c1-15-3-2-4-17(13-15)16-5-9-21(10-6-16)18(22)19(14-20)7-11-23-12-8-19/h2-5,13H,6-12H2,1H3
InChIKeyXEFKIOGWMCVXNO-UHFFFAOYSA-N
XLogP2.93
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-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-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
The IUPAC name of 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile (CID 122138535) is 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile.
What is the SMILES notation for 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
The canonical SMILES for 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile is Cc1cccc(C2=CCN(C(=O)C3(C#N)CCOCC3)CC2)c1.
What is the InChIKey of 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
The InChIKey is XEFKIOGWMCVXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-15-3-2-4-17(13-15)16-5-9-21(10-6-16)18(22)19(14-20)7-11-23-12-8-19/h2-5,13H,6-12H2,1H3.
What are the key properties of 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile?
4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile has a molecular weight of 310.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxane-4-carbonitrile is sourced from PubChem (CID 122138535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).