3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide

C18H18N4O2 — CID 51194000

IUPAC3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O2/c1-12(2)11-22-18(24)14-8-4-3-7-13(14)16(21-22)17(23)20-15-9-5-6-10-19-15/h3-10,12H,11H2,1-2H3,(H,19,20,23)
InChIKeyAXRWUCPSEHRSHR-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.70
Rot. Bonds4

About 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide

3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide (PubChem CID 51194000) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
PubChem CID51194000
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
SMILESCC(C)Cn1nc(C(=O)Nc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O2/c1-12(2)11-22-18(24)14-8-4-3-7-13(14)16(21-22)17(23)20-15-9-5-6-10-19-15/h3-10,12H,11H2,1-2H3,(H,19,20,23)
InChIKeyAXRWUCPSEHRSHR-UHFFFAOYSA-N
XLogP2.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methylpropyl)-4-oxophthalazin-1-yl]-N-pyridin-2-ylacetamide
CID 71700960
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
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-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
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
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55763709
N-(1H-benzimidazol-2-yl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815652
3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
CID 78859773
3-(2-methylpropyl)-4-oxo-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]phthalazine-1-carboxamide
CID 55669577

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide (CID 51194000) is 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide is CC(C)Cn1nc(C(=O)Nc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide?
The InChIKey is AXRWUCPSEHRSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(2)11-22-18(24)14-8-4-3-7-13(14)16(21-22)17(23)20-15-9-5-6-10-19-15/h3-10,12H,11H2,1-2H3,(H,19,20,23).
What are the key properties of 3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide?
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.70, 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-pyridin-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 51194000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).