4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide

C18H18N4O2 — CID 46651958

IUPAC4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O2/c1-12(2)22-18(24)15-9-4-3-8-14(15)16(21-22)17(23)20-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyJMYJVCJTPUYILS-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.30
Rot. Bonds4

About 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide

4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide (PubChem CID 46651958) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
PubChem CID46651958
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O2/c1-12(2)22-18(24)15-9-4-3-8-14(15)16(21-22)17(23)20-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3,(H,20,23)
InChIKeyJMYJVCJTPUYILS-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46461819
2-propan-2-yl-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]phthalazin-1-one
CID 51262953
4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide
CID 9464783
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86898044
N-(3-hydroxy-4-methylpentyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 111461070
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86980964
N-[[3-(difluoromethoxy)phenyl]methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 49337556
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78794453
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide (CID 46651958) is 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide is CC(C)n1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The InChIKey is JMYJVCJTPUYILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12(2)22-18(24)15-9-4-3-8-14(15)16(21-22)17(23)20-11-13-7-5-6-10-19-13/h3-10,12H,11H2,1-2H3,(H,20,23).
What are the key properties of 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propan-2-yl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 46651958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).