3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide

C16H17N3O2 — CID 18109248

IUPAC3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccncc2)cc1C
InChIInChI=1S/C16H17N3O2/c1-11-3-4-13(9-12(11)2)16(21)18-10-15(20)19-14-5-7-17-8-6-14/h3-9H,10H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyIROLVCDBGYLOIY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.07
Rot. Bonds4

About 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide (PubChem CID 18109248) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide
PubChem CID18109248
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccncc2)cc1C
InChIInChI=1S/C16H17N3O2/c1-11-3-4-13(9-12(11)2)16(21)18-10-15(20)19-14-5-7-17-8-6-14/h3-9H,10H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyIROLVCDBGYLOIY-UHFFFAOYSA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]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 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide (CID 18109248) is 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccncc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
The InChIKey is IROLVCDBGYLOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-3-4-13(9-12(11)2)16(21)18-10-15(20)19-14-5-7-17-8-6-14/h3-9H,10H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzamide is sourced from PubChem (CID 18109248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).