2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide

C22H18N4O2 — CID 1267790

IUPAC2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3cccnc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22(28)26(25-21)14-20(27)24-17-5-4-12-23-13-17/h2-13H,14H2,1H3,(H,24,27)
InChIKeyJZVJHZPVFAPQPD-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.41
Rot. Bonds4

About 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide

2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide (PubChem CID 1267790) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide
PubChem CID1267790
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide
SMILESCc1ccc(-c2nn(CC(=O)Nc3cccnc3)c(=O)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22(28)26(25-21)14-20(27)24-17-5-4-12-23-13-17/h2-13H,14H2,1H3,(H,24,27)
InChIKeyJZVJHZPVFAPQPD-UHFFFAOYSA-N
XLogP3.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide (CID 1267790) is 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide is Cc1ccc(-c2nn(CC(=O)Nc3cccnc3)c(=O)c3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide?
The InChIKey is JZVJHZPVFAPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-15-8-10-16(11-9-15)21-18-6-2-3-7-19(18)22(28)26(25-21)14-20(27)24-17-5-4-12-23-13-17/h2-13H,14H2,1H3,(H,24,27).
What are the key properties of 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide?
2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide has a molecular weight of 370.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 1267790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).