2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile

C16H17N3O — CID 91023962

IUPAC2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile
SMILESN#CC1=CCC=NC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H17N3O/c17-12-14-2-1-7-18-16(14)13-3-5-15(6-4-13)19-8-10-20-11-9-19/h2-7,16H,1,8-11H2
InChIKeyQFQVDGBNDOXGAQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.49
Rot. Bonds2

About 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile

2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile (PubChem CID 91023962) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile
PubChem CID91023962
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile
SMILESN#CC1=CCC=NC1c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H17N3O/c17-12-14-2-1-7-18-16(14)13-3-5-15(6-4-13)19-8-10-20-11-9-19/h2-7,16H,1,8-11H2
InChIKeyQFQVDGBNDOXGAQ-UHFFFAOYSA-N
XLogP2.49
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile (CID 91023962) is 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile is N#CC1=CCC=NC1c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile?
The InChIKey is QFQVDGBNDOXGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-12-14-2-1-7-18-16(14)13-3-5-15(6-4-13)19-8-10-20-11-9-19/h2-7,16H,1,8-11H2.
What are the key properties of 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile?
2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-2,5-dihydropyridine-3-carbonitrile is sourced from PubChem (CID 91023962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).