5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

C24H22N4O2 — CID 25195001

IUPAC5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C24H22N4O2/c1-16-9-10-19(13-21(16)23(30)28-20-8-5-11-26-14-20)27-22(29)17-6-4-7-18(12-17)24(2,3)15-25/h4-14H,1-3H3,(H,27,29)(H,28,30)
InChIKeySYWCMLLHOZNRIK-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.70
Rot. Bonds5

About 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide

5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (PubChem CID 25195001) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
PubChem CID25195001
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cccnc1
InChIInChI=1S/C24H22N4O2/c1-16-9-10-19(13-21(16)23(30)28-20-8-5-11-26-14-20)27-22(29)17-6-4-7-18(12-17)24(2,3)15-25/h4-14H,1-3H3,(H,27,29)(H,28,30)
InChIKeySYWCMLLHOZNRIK-UHFFFAOYSA-N
XLogP4.70
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide 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 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The IUPAC name of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide (CID 25195001) is 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The canonical SMILES for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cccnc1.
What is the InChIKey of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
The InChIKey is SYWCMLLHOZNRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-9-10-19(13-21(16)23(30)28-20-8-5-11-26-14-20)27-22(29)17-6-4-7-18(12-17)24(2,3)15-25/h4-14H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide?
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide has a molecular weight of 398.47 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 25195001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).