N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide

C21H17N3O2 — CID 90489965

IUPACN-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc3ccccc3c2)c2ccccc2c1=O
InChIInChI=1S/C21H17N3O2/c1-24-21(26)18-9-5-4-8-17(18)19(23-24)13-22-20(25)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyQNEGIXLKFBLHTQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.02
Rot. Bonds3

About N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide

N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide (PubChem CID 90489965) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
PubChem CID90489965
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide
SMILESCn1nc(CNC(=O)c2ccc3ccccc3c2)c2ccccc2c1=O
InChIInChI=1S/C21H17N3O2/c1-24-21(26)18-9-5-4-8-17(18)19(23-24)13-22-20(25)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H,22,25)
InChIKeyQNEGIXLKFBLHTQ-UHFFFAOYSA-N
XLogP3.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
4-ethylsulfanyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 166348988
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-naphthalen-2-yloxyacetamide
CID 90489974
6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide
CID 71779476
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 90490028
5-cyclopropyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71779472
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
5-bromo-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]furan-2-carboxamide
CID 90490004
tert-butyl N-[(3-methyl-4-oxophthalazin-1-yl)methyl]carbamate
CID 71779480
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(2-phenoxyethyl)urea
CID 90489843

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide (CID 90489965) is N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide is Cn1nc(CNC(=O)c2ccc3ccccc3c2)c2ccccc2c1=O.
What is the InChIKey of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is QNEGIXLKFBLHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-24-21(26)18-9-5-4-8-17(18)19(23-24)13-22-20(25)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,13H2,1H3,(H,22,25).
What are the key properties of N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide?
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-oxophthalazin-1-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 90489965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).