3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide

C24H27N3O2 — CID 10068933

IUPAC3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1CCCN(C)C
InChIInChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
InChIKeyOARBZUBLNNFTMQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.50
Rot. Bonds8

About 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide

3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide (PubChem CID 10068933) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
PubChem CID10068933
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1CCCN(C)C
InChIInChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28)
InChIKeyOARBZUBLNNFTMQ-UHFFFAOYSA-N
XLogP4.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide 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 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
The IUPAC name of 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide (CID 10068933) is 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccncc3)cc2)cc1CCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
The InChIKey is OARBZUBLNNFTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h6-15,17H,4-5,16H2,1-3H3,(H,26,28).
What are the key properties of 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide?
3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-4-methoxy-N-(4-pyridin-4-ylphenyl)benzamide is sourced from PubChem (CID 10068933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).