N-methyl-3-nitronaphthalene-1-carboxamide

C12H10N2O3 — CID 54231146

IUPACN-methyl-3-nitronaphthalene-1-carboxamide
SMILESCNC(=O)c1cc([N+](=O)[O-])cc2ccccc12
InChIInChI=1S/C12H10N2O3/c1-13-12(15)11-7-9(14(16)17)6-8-4-2-3-5-10(8)11/h2-7H,1H3,(H,13,15)
InChIKeyQJIRSLVKEDYFJG-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.11
Rot. Bonds2

About N-methyl-3-nitronaphthalene-1-carboxamide

N-methyl-3-nitronaphthalene-1-carboxamide (PubChem CID 54231146) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is N-methyl-3-nitronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-nitronaphthalene-1-carboxamide
PubChem CID54231146
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC NameN-methyl-3-nitronaphthalene-1-carboxamide
SMILESCNC(=O)c1cc([N+](=O)[O-])cc2ccccc12
InChIInChI=1S/C12H10N2O3/c1-13-12(15)11-7-9(14(16)17)6-8-4-2-3-5-10(8)11/h2-7H,1H3,(H,13,15)
InChIKeyQJIRSLVKEDYFJG-UHFFFAOYSA-N
XLogP2.11
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl 3-nitronaphthalene-1-carboxylate;3-nitronaphthalene-1-carboxylic acid
CID 160751815
2-(methylcarbamoyl)-4-nitrophenolate
CID 7072316
N-methoxymethanamine;N-methoxy-N-methyl-3-nitronaphthalene-1-carboxamide;3-nitronaphthalene-1-carboxylic acid;hydrochloride
CID 160854838
2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
1-chloro-3-nitronaphthalene
CID 13462997
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-methyl-2-(4-nitrophenyl)benzamide
CID 176857926
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
5-hydroxy-N-methyl-7-nitronaphthalene-2-carboxamide
CID 163232985
2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitrobenzoic acid
CID 2801936
[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 102418781
3-hydroxy-N-(2-nitrophenyl)naphthalene-1-carboxamide
CID 139771918

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitronaphthalene-1-carboxamide?
The IUPAC name of N-methyl-3-nitronaphthalene-1-carboxamide (CID 54231146) is N-methyl-3-nitronaphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-3-nitronaphthalene-1-carboxamide?
The canonical SMILES for N-methyl-3-nitronaphthalene-1-carboxamide is CNC(=O)c1cc([N+](=O)[O-])cc2ccccc12.
What is the InChIKey of N-methyl-3-nitronaphthalene-1-carboxamide?
The InChIKey is QJIRSLVKEDYFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-13-12(15)11-7-9(14(16)17)6-8-4-2-3-5-10(8)11/h2-7H,1H3,(H,13,15).
What are the key properties of N-methyl-3-nitronaphthalene-1-carboxamide?
N-methyl-3-nitronaphthalene-1-carboxamide has a molecular weight of 230.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitronaphthalene-1-carboxamide is sourced from PubChem (CID 54231146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).