N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide

C26H23N3O — CID 24941253

IUPACN-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3C)nncc2c1
InChIInChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
InChIKeyGQXMJOSCBRZMKE-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.47
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide (PubChem CID 24941253) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
PubChem CID24941253
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3C)nncc2c1
InChIInChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30)
InChIKeyGQXMJOSCBRZMKE-UHFFFAOYSA-N
XLogP5.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-(1-(2-fluorophenyl)phthalazin-6-yl)-4-methylbenzamide
CID 11848506
N-Cyclopropyl-4-methyl-3-(1-phenyl-6-phthalazinyl)benzamide
CID 11848567
N-cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido(3,2-d)pyridazin-3-yl)-4-methylbenzamide
CID 46182955
N-Cyclopropyl-3-(8-(2,4-difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-5-fluoro-4-methylbenzamide
CID 46182957
4-[4-(1-Methyl-1H-pyrazol-4-yl)-phenyl]-isoquinoline-6-carboxylic acid cyclopropylamide
CID 118660612
N-(4-Dimethylaminomethyl-3-trifluoromethyl-Phenyl)-4-methyl-3-phthalazin-6-yl-benzamide
CID 11510996
N-(4-methyl-3-phthalazin-6-ylphenyl)-4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 11605826
4-Methyl-3-phthalazin-6-yl-N-(4-piperidin-1-ylmethyl-3-trifluoromethyl-phenyl)benzamide
CID 11605827
4-methyl-3-phthalazin-6-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11654390
N-(4-methyl-3-phthalazin-6-ylphenyl)-3-(trifluoromethyl)benzamide
CID 11697155
4-Methyl-3-phthalazin-6-yl-N-(4-pyrrolidin-1-ylmethyl-3-trifluoromethyl-phenyl)benzamide
CID 11698830
4-Dimethylaminomethyl-N-(4-methyl-3-phthalazin-6-yl-phenyl)-3-trifluoromethyl-benzamide
CID 11719630

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide (CID 24941253) is N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3C)nncc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide?
The InChIKey is GQXMJOSCBRZMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-16-5-3-4-6-22(16)25-23-12-9-18(13-20(23)15-27-29-25)24-14-19(8-7-17(24)2)26(30)28-21-10-11-21/h3-9,12-15,21H,10-11H2,1-2H3,(H,28,30).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]benzamide is sourced from PubChem (CID 24941253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).