4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile

C19H16N2O — CID 2559339

IUPAC4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H16N2O/c20-14-15-6-8-18(9-7-15)19(22)21-12-10-17(11-13-21)16-4-2-1-3-5-16/h1-10H,11-13H2
InChIKeyYFNMVBLUKGIXCN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.49
Rot. Bonds2

About 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile

4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile (PubChem CID 2559339) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile
PubChem CID2559339
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1
InChIInChI=1S/C19H16N2O/c20-14-15-6-8-18(9-7-15)19(22)21-12-10-17(11-13-21)16-4-2-1-3-5-16/h1-10H,11-13H2
InChIKeyYFNMVBLUKGIXCN-UHFFFAOYSA-N
XLogP3.49
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile?
The IUPAC name of 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile (CID 2559339) is 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile.
What is the SMILES notation for 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile?
The canonical SMILES for 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile is N#Cc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile?
The InChIKey is YFNMVBLUKGIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c20-14-15-6-8-18(9-7-15)19(22)21-12-10-17(11-13-21)16-4-2-1-3-5-16/h1-10H,11-13H2.
What are the key properties of 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile?
4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzonitrile is sourced from PubChem (CID 2559339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).