N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide

C20H15N3O2 — CID 78514766

IUPACN-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1N=NC(=O)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O2/c24-19(15-10-9-13-5-1-2-6-14(13)11-15)21-12-18-16-7-3-4-8-17(16)20(25)23-22-18/h1-11,18H,12H2,(H,21,24)
InChIKeyTVKBJNKGASDIST-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.92
Rot. Bonds3

About N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide

N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide (PubChem CID 78514766) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide
PubChem CID78514766
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC NameN-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide
SMILESO=C(NCC1N=NC(=O)c2ccccc21)c1ccc2ccccc2c1
InChIInChI=1S/C20H15N3O2/c24-19(15-10-9-13-5-1-2-6-14(13)11-15)21-12-18-16-7-3-4-8-17(16)20(25)23-22-18/h1-11,18H,12H2,(H,21,24)
InChIKeyTVKBJNKGASDIST-UHFFFAOYSA-N
XLogP3.92
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-[(4-oxo-1H-phthalazin-1-yl)methyl]urea
CID 78458199
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[(3-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 106126364
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
N-(pyrrolidin-3-ylmethyl)naphthalene-2-carboxamide
CID 80564611
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-(3-amino-2-hydroxy-3-oxopropyl)naphthalene-2-carboxamide
CID 107261317
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-pentylnaphthalene-2-carboxamide
CID 91722098

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide (CID 78514766) is N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide is O=C(NCC1N=NC(=O)c2ccccc21)c1ccc2ccccc2c1.
What is the InChIKey of N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is TVKBJNKGASDIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19(15-10-9-13-5-1-2-6-14(13)11-15)21-12-18-16-7-3-4-8-17(16)20(25)23-22-18/h1-11,18H,12H2,(H,21,24).
What are the key properties of N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide?
N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-1H-phthalazin-1-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 78514766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).