5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide

C25H24N4O3 — CID 44571964

IUPAC5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)cn1
InChIInChI=1S/C25H24N4O3/c1-16-8-9-19(13-21(16)24(31)29-20-10-11-22(32-4)27-14-20)28-23(30)17-6-5-7-18(12-17)25(2,3)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31)
InChIKeyJDOIIIDKEBUIFU-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.70
Rot. Bonds6

About 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide

5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide (PubChem CID 44571964) 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-(6-methoxy-3-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide
PubChem CID44571964
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)cn1
InChIInChI=1S/C25H24N4O3/c1-16-8-9-19(13-21(16)24(31)29-20-10-11-22(32-4)27-14-20)28-23(30)17-6-5-7-18(12-17)25(2,3)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31)
InChIKeyJDOIIIDKEBUIFU-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-(6-methoxy-3-pyridinyl)-2-methylbenzamide with MolForge

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Related Compounds

(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
4-methoxy-N-{4-[(3-pyridinylamino)carbonyl]phenyl}benzamide
CID 972486
3-(4-hydroxyphenyl)-N-(6-methoxypyridin-3-yl)benzamide
CID 2463899
N-(6-methoxypyridin-3-yl)-3-phenoxybenzamide
CID 16295584
2-(1-adamantyl)-N-(6-methoxypyridin-3-yl)acetamide
CID 4916617
2-[1-(6-Methoxy-3-pyridinyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 9970023
3-(3-Dimethylamino-propyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10068933
N-(2-aminophenyl)-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzamide
CID 10450420
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
CID 11704625
4-(3-(6-methoxypyridin-3-yl)phenyl)-7-methyl-8-(trifluoromethyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 22317744
5-{[3-(1-cyano-1-methylethyl)benzoyl]amino}-2-methyl-N-pyridin-3-ylbenzamide
CID 25195001

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide?
The IUPAC name of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide (CID 44571964) is 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide is COc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)cn1.
What is the InChIKey of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-methoxy-3-pyridinyl)-2-methylbenzamide?
The InChIKey is JDOIIIDKEBUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-8-9-19(13-21(16)24(31)29-20-10-11-22(32-4)27-14-20)28-23(30)17-6-5-7-18(12-17)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-(6-methoxy-3-pyridinyl)-2-methylbenzamide?
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-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-(6-methoxy-3-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 44571964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).