N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

C20H15N5O2 — CID 39027087

IUPACN-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)n1
InChIInChI=1S/C20H15N5O2/c1-12-21-10-9-17(22-12)13-5-4-6-14(11-13)23-20(27)18-15-7-2-3-8-16(15)19(26)25-24-18/h2-11H,1H3,(H,23,27)(H,25,26)
InChIKeyGHLWQLOJTMVDCA-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.94
Rot. Bonds3

About N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 39027087) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID39027087
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC NameN-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1nccc(-c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)n1
InChIInChI=1S/C20H15N5O2/c1-12-21-10-9-17(22-12)13-5-4-6-14(11-13)23-20(27)18-15-7-2-3-8-16(15)19(26)25-24-18/h2-11H,1H3,(H,23,27)(H,25,26)
InChIKeyGHLWQLOJTMVDCA-UHFFFAOYSA-N
XLogP2.94
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 39259943
4-oxo-N-quinolin-6-yl-3H-phthalazine-1-carboxamide
CID 60555807
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
N-[(1R,2S)-2-methylcyclohexyl]-N'-[3-(2-methylpyrimidin-4-yl)phenyl]oxamide
CID 94193234
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-propan-2-yloxybenzamide
CID 39259940
tert-butyl N-[3-(2-methylpyrimidin-4-yl)phenyl]carbamate
CID 101394554
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52613811
1-(2-fluorophenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39413350
N-(4-fluorophenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163288
N-(2-methyl-3-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 79042904
N-(1H-imidazol-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 60968085
N-(5,6-dimethyl-4-phenyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 155501513

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 39027087) is N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is Cc1nccc(-c2cccc(NC(=O)c3n[nH]c(=O)c4ccccc34)c2)n1.
What is the InChIKey of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is GHLWQLOJTMVDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-12-21-10-9-17(22-12)13-5-4-6-14(11-13)23-20(27)18-15-7-2-3-8-16(15)19(26)25-24-18/h2-11H,1H3,(H,23,27)(H,25,26).
What are the key properties of N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 39027087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).