5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide

C25H24N4O3 — CID 11704625

IUPAC5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
SMILESCOc1cncc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)c1
InChIInChI=1S/C25H24N4O3/c1-16-8-9-19(12-22(16)24(31)29-20-11-21(32-4)14-27-13-20)28-23(30)17-6-5-7-18(10-17)25(2,3)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31)
InChIKeyGJFXODQPYBBWHJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.70
Rot. Bonds6

About 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide

5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide (PubChem CID 11704625) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
PubChem CID11704625
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
SMILESCOc1cncc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)c1
InChIInChI=1S/C25H24N4O3/c1-16-8-9-19(12-22(16)24(31)29-20-11-21(32-4)14-27-13-20)28-23(30)17-6-5-7-18(10-17)25(2,3)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31)
InChIKeyGJFXODQPYBBWHJ-UHFFFAOYSA-N
XLogP4.70
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-(6-pyridin-3-yloxypyridin-3-yl)benzamide
CID 2800172
5-[(3-Isobutoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571868
N-(4-tert-butylphenyl)-4-(3-propoxypyridin-2-yl)benzamide
CID 44416971
5-[(3-Isopropoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571867
5-[(4-Methoxybenzoyl)amino]-2-methyl-n-pyridin-3-ylbenzamide
CID 44571914
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide
CID 44571964
3-[2-(5-methoxypyridin-3-yl)ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 86566934
N-[3-[6-[(1R)-1-cyanoethoxy]-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408059
N-[3-[6-[(1S)-1-cyanoethoxy]-5-morpholin-4-ylpyridin-3-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408138
N-[3-(6-methoxy-5-morpholin-4-ylpyridin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90408193
2-(2-cyanopropan-2-yl)-N-[3-(6-methoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90408886
2-(2-cyanopropan-2-yl)-N-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 90410117

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
The IUPAC name of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide (CID 11704625) is 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide is COc1cncc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)c1.
What is the InChIKey of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
The InChIKey is GJFXODQPYBBWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-8-9-19(12-22(16)24(31)29-20-11-21(32-4)14-27-13-20)28-23(30)17-6-5-7-18(10-17)25(2,3)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31).
What are the key properties of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 11704625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).