3-methoxynaphthalene-2,7-dicarboxamide

C13H12N2O3 — CID 23118701

IUPAC3-methoxynaphthalene-2,7-dicarboxamide
SMILESCOc1cc2ccc(C(N)=O)cc2cc1C(N)=O
InChIInChI=1S/C13H12N2O3/c1-18-11-6-7-2-3-8(12(14)16)4-9(7)5-10(11)13(15)17/h2-6H,1H3,(H2,14,16)(H2,15,17)
InChIKeyWYGKUFSCLOQXBK-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.05
Rot. Bonds3

About 3-methoxynaphthalene-2,7-dicarboxamide

3-methoxynaphthalene-2,7-dicarboxamide (PubChem CID 23118701) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-methoxynaphthalene-2,7-dicarboxamide.

Molecular Properties

Compound Name3-methoxynaphthalene-2,7-dicarboxamide
PubChem CID23118701
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-methoxynaphthalene-2,7-dicarboxamide
SMILESCOc1cc2ccc(C(N)=O)cc2cc1C(N)=O
InChIInChI=1S/C13H12N2O3/c1-18-11-6-7-2-3-8(12(14)16)4-9(7)5-10(11)13(15)17/h2-6H,1H3,(H2,14,16)(H2,15,17)
InChIKeyWYGKUFSCLOQXBK-UHFFFAOYSA-N
XLogP1.05
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-dodecoxynaphthalene-2,7-dicarboxamide
CID 86025040
methyl 7-carbamoyl-3-hydroxynaphthalene-2-carboxylate
CID 24890587
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 23118707
(3,6-dimethoxynaphthalen-2-yl)-naphthalen-2-ylmethanone
CID 123555772
tetracene-2-carboxamide;hydrobromide
CID 22400124
2,5-dimethoxy-4-methylbenzamide
CID 82491295
4,8-dimethoxynaphthalene-1,5-dicarboxamide
CID 100971321
CID 101146176
CID 101146176
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
3-formyl-4-methoxybenzamide
CID 23141386

Frequently Asked Questions

What is the IUPAC name of 3-methoxynaphthalene-2,7-dicarboxamide?
The IUPAC name of 3-methoxynaphthalene-2,7-dicarboxamide (CID 23118701) is 3-methoxynaphthalene-2,7-dicarboxamide.
What is the SMILES notation for 3-methoxynaphthalene-2,7-dicarboxamide?
The canonical SMILES for 3-methoxynaphthalene-2,7-dicarboxamide is COc1cc2ccc(C(N)=O)cc2cc1C(N)=O.
What is the InChIKey of 3-methoxynaphthalene-2,7-dicarboxamide?
The InChIKey is WYGKUFSCLOQXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-18-11-6-7-2-3-8(12(14)16)4-9(7)5-10(11)13(15)17/h2-6H,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 3-methoxynaphthalene-2,7-dicarboxamide?
3-methoxynaphthalene-2,7-dicarboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxynaphthalene-2,7-dicarboxamide is sourced from PubChem (CID 23118701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).