3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide

C19H19N3O2 — CID 90489923

IUPAC3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C19H19N3O2/c1-12-8-13(2)10-14(9-12)18(23)20-11-17-15-6-4-5-7-16(15)19(24)22(3)21-17/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyPVFDVDXSKVRKJN-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.48
Rot. Bonds3

About 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide

3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide (PubChem CID 90489923) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
PubChem CID90489923
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCc2nn(C)c(=O)c3ccccc23)c1
InChIInChI=1S/C19H19N3O2/c1-12-8-13(2)10-14(9-12)18(23)20-11-17-15-6-4-5-7-16(15)19(24)22(3)21-17/h4-10H,11H2,1-3H3,(H,20,23)
InChIKeyPVFDVDXSKVRKJN-UHFFFAOYSA-N
XLogP2.48
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide (CID 90489923) is 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide is Cc1cc(C)cc(C(=O)NCc2nn(C)c(=O)c3ccccc23)c1.
What is the InChIKey of 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
The InChIKey is PVFDVDXSKVRKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-8-13(2)10-14(9-12)18(23)20-11-17-15-6-4-5-7-16(15)19(24)22(3)21-17/h4-10H,11H2,1-3H3,(H,20,23).
What are the key properties of 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide?
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide is sourced from PubChem (CID 90489923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).