[1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid

C26H22ClN3O2 — CID 66962472

IUPAC[1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid
SMILESO=C(O)NC(c1ccc(Cl)cc1)C(Cc1ccccc1)(c1cccnc1)c1cccnc1
InChIInChI=1S/C26H22ClN3O2/c27-23-12-10-20(11-13-23)24(30-25(31)32)26(21-8-4-14-28-17-21,22-9-5-15-29-18-22)16-19-6-2-1-3-7-19/h1-15,17-18,24,30H,16H2,(H,31,32)
InChIKeyJZDAIJFCUDCZEW-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.67
Rot. Bonds7

About [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid

[1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid (PubChem CID 66962472) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid
PubChem CID66962472
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC Name[1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid
SMILESO=C(O)NC(c1ccc(Cl)cc1)C(Cc1ccccc1)(c1cccnc1)c1cccnc1
InChIInChI=1S/C26H22ClN3O2/c27-23-12-10-20(11-13-23)24(30-25(31)32)26(21-8-4-14-28-17-21,22-9-5-15-29-18-22)16-19-6-2-1-3-7-19/h1-15,17-18,24,30H,16H2,(H,31,32)
InChIKeyJZDAIJFCUDCZEW-UHFFFAOYSA-N
XLogP5.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid 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 [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid?
The IUPAC name of [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid (CID 66962472) is [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid.
What is the SMILES notation for [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid?
The canonical SMILES for [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid is O=C(O)NC(c1ccc(Cl)cc1)C(Cc1ccccc1)(c1cccnc1)c1cccnc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid?
The InChIKey is JZDAIJFCUDCZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c27-23-12-10-20(11-13-23)24(30-25(31)32)26(21-8-4-14-28-17-21,22-9-5-15-29-18-22)16-19-6-2-1-3-7-19/h1-15,17-18,24,30H,16H2,(H,31,32).
What are the key properties of [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid?
[1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid has a molecular weight of 443.93 g/mol, XLogP of 5.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-phenyl-2,2-dipyridin-3-ylpropyl]carbamic acid is sourced from PubChem (CID 66962472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).