phenyl 4-phenyl-4H-pyridine-1-carboxylate

C18H15NO2 — CID 10540490

IUPACphenyl 4-phenyl-4H-pyridine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C=CC(c2ccccc2)C=C1
InChIInChI=1S/C18H15NO2/c20-18(21-17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15/h1-14,16H
InChIKeyHLTXDAAGRQRVNM-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.31
Rot. Bonds2

About phenyl 4-phenyl-4H-pyridine-1-carboxylate

phenyl 4-phenyl-4H-pyridine-1-carboxylate (PubChem CID 10540490) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is phenyl 4-phenyl-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-phenyl-4H-pyridine-1-carboxylate
PubChem CID10540490
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Namephenyl 4-phenyl-4H-pyridine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1C=CC(c2ccccc2)C=C1
InChIInChI=1S/C18H15NO2/c20-18(21-17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15/h1-14,16H
InChIKeyHLTXDAAGRQRVNM-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze phenyl 4-phenyl-4H-pyridine-1-carboxylate 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

2,2,2-trichloroethyl 4-phenyl-4H-pyridine-1-carboxylate
CID 20741872
phenyl 4-butan-2-yl-4H-pyridine-1-carboxylate
CID 11470875
2-phenyl-1-(4-phenyl-4H-pyridin-1-yl)ethanone
CID 20741879
phenyl 3-formyl-4-methyl-4H-pyridine-1-carboxylate
CID 19075274
phenyl 4-ethyl-3-fluoro-4H-pyridine-1-carboxylate
CID 71377101
cyclohexyl-(4-phenyl-4H-pyridin-1-yl)methanone;2-ethyl-1-(4-phenyl-4H-pyridin-1-yl)hexan-1-one;phenyl 4-phenyl-4H-pyridine-1-carboxylate;1-(4-phenyl-4H-pyridin-1-yl)decan-1-one;1-(4-phenyl-4H-pyridin-1-yl)nonan-1-one
CID 157420424
phenyl 1,4-diazepine-1-carboxylate
CID 159075032
diphenyl diazinane-1,2-dicarboxylate
CID 139696788
phenyl 2,4-dimethyl-4H-pyridine-1-carboxylate
CID 15330000
tert-butyl 4-(3-methylphenyl)-4H-pyridine-1-carboxylate
CID 139957958
phenyl (2S,6S)-2,6-dimethylmorpholine-4-carboxylate
CID 95358432
phenyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 95358431

Frequently Asked Questions

What is the IUPAC name of phenyl 4-phenyl-4H-pyridine-1-carboxylate?
The IUPAC name of phenyl 4-phenyl-4H-pyridine-1-carboxylate (CID 10540490) is phenyl 4-phenyl-4H-pyridine-1-carboxylate.
What is the SMILES notation for phenyl 4-phenyl-4H-pyridine-1-carboxylate?
The canonical SMILES for phenyl 4-phenyl-4H-pyridine-1-carboxylate is O=C(Oc1ccccc1)N1C=CC(c2ccccc2)C=C1.
What is the InChIKey of phenyl 4-phenyl-4H-pyridine-1-carboxylate?
The InChIKey is HLTXDAAGRQRVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18(21-17-9-5-2-6-10-17)19-13-11-16(12-14-19)15-7-3-1-4-8-15/h1-14,16H.
What are the key properties of phenyl 4-phenyl-4H-pyridine-1-carboxylate?
phenyl 4-phenyl-4H-pyridine-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-phenyl-4H-pyridine-1-carboxylate is sourced from PubChem (CID 10540490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).