2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide

C31H26N4O — CID 66829680

IUPAC2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(-c2ccccc2)c1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C31H26N4O/c36-31(35-22-26-13-4-5-18-34-26)28-15-6-14-27(23-9-2-1-3-10-23)30(28)19-29(24-11-7-16-32-20-24)25-12-8-17-33-21-25/h1-18,20-21,29H,19,22H2,(H,35,36)
InChIKeyHFULFNFTSVXTFC-UHFFFAOYSA-N
MW470.58 g/mol
LogP5.84
Rot. Bonds8

About 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide

2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 66829680) has the molecular formula C31H26N4O and a molecular weight of 470.58 g/mol. Its IUPAC name is 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID66829680
Molecular FormulaC31H26N4O
Molecular Weight470.58 g/mol
Exact Mass470.21
IUPAC Name2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide
SMILESO=C(NCc1ccccn1)c1cccc(-c2ccccc2)c1CC(c1cccnc1)c1cccnc1
InChIInChI=1S/C31H26N4O/c36-31(35-22-26-13-4-5-18-34-26)28-15-6-14-27(23-9-2-1-3-10-23)30(28)19-29(24-11-7-16-32-20-24)25-12-8-17-33-21-25/h1-18,20-21,29H,19,22H2,(H,35,36)
InChIKeyHFULFNFTSVXTFC-UHFFFAOYSA-N
XLogP5.84
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.58
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide 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

4-hydrazinyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81255921
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524
2-(1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 168517912
3-[2-phenylpropyl-[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]benzoyl]amino]propanoic acid
CID 69427382
N'-[(2R)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 27564120
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
2-amino-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 16787973
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide (CID 66829680) is 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1cccc(-c2ccccc2)c1CC(c1cccnc1)c1cccnc1.
What is the InChIKey of 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is HFULFNFTSVXTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O/c36-31(35-22-26-13-4-5-18-34-26)28-15-6-14-27(23-9-2-1-3-10-23)30(28)19-29(24-11-7-16-32-20-24)25-12-8-17-33-21-25/h1-18,20-21,29H,19,22H2,(H,35,36).
What are the key properties of 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide?
2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 470.58 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dipyridin-3-ylethyl)-3-phenyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 66829680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).