N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

C24H21ClN4O2 — CID 20875814

IUPACN-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C24H21ClN4O2/c1-16-7-8-18(25)14-22(16)28(2)23(30)15-29-24(31)20-6-4-3-5-19(20)21(27-29)13-17-9-11-26-12-10-17/h3-12,14H,13,15H2,1-2H3
InChIKeyUJXZHIWDYBGVKT-UHFFFAOYSA-N
MW432.91 g/mol
LogP4.01
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 20875814) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID20875814
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC NameN-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESCc1ccc(Cl)cc1N(C)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
InChIInChI=1S/C24H21ClN4O2/c1-16-7-8-18(25)14-22(16)28(2)23(30)15-29-24(31)20-6-4-3-5-19(20)21(27-29)13-17-9-11-26-12-10-17/h3-12,14H,13,15H2,1-2H3
InChIKeyUJXZHIWDYBGVKT-UHFFFAOYSA-N
XLogP4.01
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (CID 20875814) is N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is Cc1ccc(Cl)cc1N(C)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is UJXZHIWDYBGVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-16-7-8-18(25)14-22(16)28(2)23(30)15-29-24(31)20-6-4-3-5-19(20)21(27-29)13-17-9-11-26-12-10-17/h3-12,14H,13,15H2,1-2H3.
What are the key properties of N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 432.91 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 20875814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).