5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide

C12H10N2O4 — CID 163232985

IUPAC5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2c(O)cc([N+](=O)[O-])cc2c1
InChIInChI=1S/C12H10N2O4/c1-13-12(16)7-2-3-10-8(4-7)5-9(14(17)18)6-11(10)15/h2-6,15H,1H3,(H,13,16)
InChIKeyXAUNHIFSMNQPSY-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.81
Rot. Bonds2

About 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide

5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide (PubChem CID 163232985) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide
PubChem CID163232985
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2c(O)cc([N+](=O)[O-])cc2c1
InChIInChI=1S/C12H10N2O4/c1-13-12(16)7-2-3-10-8(4-7)5-9(14(17)18)6-11(10)15/h2-6,15H,1H3,(H,13,16)
InChIKeyXAUNHIFSMNQPSY-UHFFFAOYSA-N
XLogP1.81
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
N-methyl-3-nitronaphthalene-1-carboxamide
CID 54231146
4-amino-N-methylbenzamide;N-methyl-4-nitrobenzamide
CID 91087652
4-(5-hydroxynaphthalen-2-yl)-N-methylbenzamide
CID 53324529
N-acetyl-3,5-dinitrobenzamide
CID 142668942
N-methyl-5-nitropyridine-3-carboxamide
CID 21405292
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
3-(3-hydroxy-3-methylazetidin-1-yl)-N-methyl-4-nitrobenzamide
CID 82988947
6-hydroxy-5-methyl-N-[(3-nitrophenyl)carbamothioyl]naphthalene-2-carboxamide
CID 59937378
N-methyl-3-nitro-4-prop-1-ynylbenzamide
CID 57331532
N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-3-nitrobenzamide
CID 26679344
N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
CID 82993069

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide?
The IUPAC name of 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide (CID 163232985) is 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide.
What is the SMILES notation for 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide?
The canonical SMILES for 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide is CNC(=O)c1ccc2c(O)cc([N+](=O)[O-])cc2c1.
What is the InChIKey of 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide?
The InChIKey is XAUNHIFSMNQPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-13-12(16)7-2-3-10-8(4-7)5-9(14(17)18)6-11(10)15/h2-6,15H,1H3,(H,13,16).
What are the key properties of 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide?
5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide has a molecular weight of 246.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide is sourced from PubChem (CID 163232985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).