3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide

C21H24N4O2 — CID 78859773

IUPAC3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c(C)n1
InChIInChI=1S/C21H24N4O2/c1-12(2)11-25-21(27)17-9-7-6-8-16(17)19(24-25)20(26)23-18-13(3)10-14(4)22-15(18)5/h6-10,12H,11H2,1-5H3,(H,23,26)
InChIKeyAUWOCKQUNRJIJA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.63
Rot. Bonds4

About 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide

3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide (PubChem CID 78859773) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
PubChem CID78859773
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
SMILESCc1cc(C)c(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c(C)n1
InChIInChI=1S/C21H24N4O2/c1-12(2)11-25-21(27)17-9-7-6-8-16(17)19(24-25)20(26)23-18-13(3)10-14(4)22-15(18)5/h6-10,12H,11H2,1-5H3,(H,23,26)
InChIKeyAUWOCKQUNRJIJA-UHFFFAOYSA-N
XLogP3.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
N-(4-chloro-2-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815704
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
N-(1H-benzimidazol-2-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815652
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948
N-[4-[(2R)-butan-2-yl]phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 7935649
ethyl 4-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzoate
CID 7926438
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55672343

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide (CID 78859773) is 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide is Cc1cc(C)c(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)c(C)n1.
What is the InChIKey of 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide?
The InChIKey is AUWOCKQUNRJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-12(2)11-25-21(27)17-9-7-6-8-16(17)19(24-25)20(26)23-18-13(3)10-14(4)22-15(18)5/h6-10,12H,11H2,1-5H3,(H,23,26).
What are the key properties of 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide?
3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide is sourced from PubChem (CID 78859773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).