N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

C21H20N4O3 — CID 33351575

IUPACN-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2n[nH]c(=O)c3ccccc23)C2CC2)cc1
InChIInChI=1S/C21H20N4O3/c1-22-19(26)14-8-6-13(7-9-14)12-25(15-10-11-15)21(28)18-16-4-2-3-5-17(16)20(27)24-23-18/h2-9,15H,10-12H2,1H3,(H,22,26)(H,24,27)
InChIKeySLXMXSGFQOGUME-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.09
Rot. Bonds5

About N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide

N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 33351575) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID33351575
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCNC(=O)c1ccc(CN(C(=O)c2n[nH]c(=O)c3ccccc23)C2CC2)cc1
InChIInChI=1S/C21H20N4O3/c1-22-19(26)14-8-6-13(7-9-14)12-25(15-10-11-15)21(28)18-16-4-2-3-5-17(16)20(27)24-23-18/h2-9,15H,10-12H2,1H3,(H,22,26)(H,24,27)
InChIKeySLXMXSGFQOGUME-UHFFFAOYSA-N
XLogP2.09
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102
N-(2-cyanoethyl)-N-cyclopropyl-4-oxo-3H-phthalazine-1-carboxamide
CID 61042455
N-cyclopropyl-3,4,5-triethoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33351847
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17401113
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016
5-bromo-N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 33352211
N-cyclopropyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 17452042

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 33351575) is N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is CNC(=O)c1ccc(CN(C(=O)c2n[nH]c(=O)c3ccccc23)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is SLXMXSGFQOGUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-22-19(26)14-8-6-13(7-9-14)12-25(15-10-11-15)21(28)18-16-4-2-3-5-17(16)20(27)24-23-18/h2-9,15H,10-12H2,1H3,(H,22,26)(H,24,27).
What are the key properties of N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 33351575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).