3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide

C17H22N4O2 — CID 16622021

IUPAC3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccn(C)n2)C(C)C)c1
InChIInChI=1S/C17H22N4O2/c1-11(2)15(17(23)18-14-8-9-21(4)20-14)19-16(22)13-7-5-6-12(3)10-13/h5-11,15H,1-4H3,(H,19,22)(H,18,20,23)
InChIKeyOBQOBQJTZKAZOF-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide

3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 16622021) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID16622021
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCc1cccc(C(=O)NC(C(=O)Nc2ccn(C)n2)C(C)C)c1
InChIInChI=1S/C17H22N4O2/c1-11(2)15(17(23)18-14-8-9-21(4)20-14)19-16(22)13-7-5-6-12(3)10-13/h5-11,15H,1-4H3,(H,19,22)(H,18,20,23)
InChIKeyOBQOBQJTZKAZOF-UHFFFAOYSA-N
XLogP2.12
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]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-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide (CID 16622021) is 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide is Cc1cccc(C(=O)NC(C(=O)Nc2ccn(C)n2)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is OBQOBQJTZKAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)15(17(23)18-14-8-9-21(4)20-14)19-16(22)13-7-5-6-12(3)10-13/h5-11,15H,1-4H3,(H,19,22)(H,18,20,23).
What are the key properties of 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide?
3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-1-[(1-methylpyrazol-3-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 16622021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).