4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide

C13H11NO3 — CID 54318680

IUPAC4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccccc2c(C=O)c1O
InChIInChI=1S/C13H11NO3/c1-14-13(17)10-6-8-4-2-3-5-9(8)11(7-15)12(10)16/h2-7,16H,1H3,(H,14,17)
InChIKeySQBDEZUETCNEEC-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.72
Rot. Bonds2

About 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide

4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide (PubChem CID 54318680) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
PubChem CID54318680
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide
SMILESCNC(=O)c1cc2ccccc2c(C=O)c1O
InChIInChI=1S/C13H11NO3/c1-14-13(17)10-6-8-4-2-3-5-9(8)11(7-15)12(10)16/h2-7,16H,1H3,(H,14,17)
InChIKeySQBDEZUETCNEEC-UHFFFAOYSA-N
XLogP1.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(2-hydroxynaphthalen-1-yl)-N-methylnaphthalene-2-carboxamide
CID 101061990
2-hydroxy-3-(hydroxymethyl)naphthalene-1-carbaldehyde
CID 10584242
(4-formyl-3-hydroxynaphthalen-2-yl) hydrogen carbonate
CID 88726898
3-hydroxy-2-methylnaphthalene-1-carbaldehyde
CID 22259589
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
3-iodo-N-methylnaphthalene-2-carboxamide
CID 133056320
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
N-methyl-3-nitronaphthalene-1-carboxamide
CID 54231146
5-(methylcarbamoyl)naphthalene-2-sulfonic acid
CID 163232980
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722
N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 20831549
4-[(2-chlorophenyl)iminomethyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 4172097

Frequently Asked Questions

What is the IUPAC name of 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The IUPAC name of 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide (CID 54318680) is 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The canonical SMILES for 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide is CNC(=O)c1cc2ccccc2c(C=O)c1O.
What is the InChIKey of 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
The InChIKey is SQBDEZUETCNEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-14-13(17)10-6-8-4-2-3-5-9(8)11(7-15)12(10)16/h2-7,16H,1H3,(H,14,17).
What are the key properties of 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide?
4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-3-hydroxy-N-methylnaphthalene-2-carboxamide is sourced from PubChem (CID 54318680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).