3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide

C27H25N3O — CID 66829396

IUPAC3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C27H25N3O/c1-30(2)27(31)22-10-5-9-20(16-22)25-13-4-3-8-21(25)17-26(23-11-6-14-28-18-23)24-12-7-15-29-19-24/h3-16,18-19,26H,17H2,1-2H3
InChIKeyDDLRTBSQQLRMGW-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.22
Rot. Bonds6

About 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide

3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide (PubChem CID 66829396) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide
PubChem CID66829396
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1
InChIInChI=1S/C27H25N3O/c1-30(2)27(31)22-10-5-9-20(16-22)25-13-4-3-8-21(25)17-26(23-11-6-14-28-18-23)24-12-7-15-29-19-24/h3-16,18-19,26H,17H2,1-2H3
InChIKeyDDLRTBSQQLRMGW-UHFFFAOYSA-N
XLogP5.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide (CID 66829396) is 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1.
What is the InChIKey of 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide?
The InChIKey is DDLRTBSQQLRMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-30(2)27(31)22-10-5-9-20(16-22)25-13-4-3-8-21(25)17-26(23-11-6-14-28-18-23)24-12-7-15-29-19-24/h3-16,18-19,26H,17H2,1-2H3.
What are the key properties of 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide?
3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide has a molecular weight of 407.52 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dipyridin-3-ylethyl)phenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 66829396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).