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

C25H24N4O3 — CID 69173903

IUPAC5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
SMILESCOc1cncc(NC(=O)c2cc(NC(=O)c3cccc(CC(C)C#N)c3)ccc2C)c1
InChIInChI=1S/C25H24N4O3/c1-16(13-26)9-18-5-4-6-19(10-18)24(30)28-20-8-7-17(2)23(12-20)25(31)29-21-11-22(32-3)15-27-14-21/h4-8,10-12,14-16H,9H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZIUBNNUOFLDHSY-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.61
Rot. Bonds7

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

5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide (PubChem CID 69173903) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
PubChem CID69173903
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide
SMILESCOc1cncc(NC(=O)c2cc(NC(=O)c3cccc(CC(C)C#N)c3)ccc2C)c1
InChIInChI=1S/C25H24N4O3/c1-16(13-26)9-18-5-4-6-19(10-18)24(30)28-20-8-7-17(2)23(12-20)25(31)29-21-11-22(32-3)15-27-14-21/h4-8,10-12,14-16H,9H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZIUBNNUOFLDHSY-UHFFFAOYSA-N
XLogP4.61
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-[5-(methoxymethyl)-3-pyridinyl]-2-methylbenzamide
CID 68845465
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinic acid
CID 174551507
[3-[[4-methyl-3-(pyridin-3-ylcarbamoyl)phenyl]carbamoyl]phenyl]methanesulfinate
CID 174551506
3-(2-cyanopropyl)-N-[4-methyl-3-(4-oxo-7-pyrimidin-5-ylquinazolin-3-yl)phenyl]benzamide
CID 69355201
3-(cyanomethyl)-N-(4-methoxyphenyl)benzamide
CID 82179539
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[5-(1H-pyrazol-4-yl)-3-pyridinyl]benzamide
CID 68844911
N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68847130
5-[(3-iodobenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68848540
[5-[(3-methoxybenzoyl)amino]-3-pyridinyl]boronic acid
CID 90102593
3-methoxy-N-[4-[(3-methyl-4-pyridinyl)carbamoyl]phenyl]benzamide
CID 167924078
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
The IUPAC name of 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide (CID 69173903) is 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide.
What is the SMILES notation for 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
The canonical SMILES for 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide is COc1cncc(NC(=O)c2cc(NC(=O)c3cccc(CC(C)C#N)c3)ccc2C)c1.
What is the InChIKey of 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
The InChIKey is ZIUBNNUOFLDHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16(13-26)9-18-5-4-6-19(10-18)24(30)28-20-8-7-17(2)23(12-20)25(31)29-21-11-22(32-3)15-27-14-21/h4-8,10-12,14-16H,9H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide?
5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-cyanopropyl)benzoyl]amino]-N-(5-methoxy-3-pyridinyl)-2-methylbenzamide is sourced from PubChem (CID 69173903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).