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

C18H18N4O2 — CID 2092318

IUPAC4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O2/c1-2-11-22-18(24)15-9-4-3-8-14(15)16(21-22)17(23)20-12-13-7-5-6-10-19-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyLDGRZURMLKCYFW-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.13
Rot. Bonds5

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

4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide (PubChem CID 2092318) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
PubChem CID2092318
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C18H18N4O2/c1-2-11-22-18(24)15-9-4-3-8-14(15)16(21-22)17(23)20-12-13-7-5-6-10-19-13/h3-10H,2,11-12H2,1H3,(H,20,23)
InChIKeyLDGRZURMLKCYFW-UHFFFAOYSA-N
XLogP2.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide (CID 2092318) is 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide is CCCn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
The InChIKey is LDGRZURMLKCYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-2-11-22-18(24)15-9-4-3-8-14(15)16(21-22)17(23)20-12-13-7-5-6-10-19-13/h3-10H,2,11-12H2,1H3,(H,20,23).
What are the key properties of 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide?
4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-propyl-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 2092318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).