2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide

C16H14N4O3 — CID 122150956

IUPAC2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)c2cn[nH]c2c1
InChIInChI=1S/C16H14N4O3/c1-9-4-3-5-14(20(22)23)15(9)16(21)18-11-6-10(2)12-8-17-19-13(12)7-11/h3-8H,1-2H3,(H,17,19)(H,18,21)
InChIKeyDESLIQKTKAOYET-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.34
Rot. Bonds3

About 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide

2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide (PubChem CID 122150956) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
PubChem CID122150956
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
SMILESCc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)c2cn[nH]c2c1
InChIInChI=1S/C16H14N4O3/c1-9-4-3-5-14(20(22)23)15(9)16(21)18-11-6-10(2)12-8-17-19-13(12)7-11/h3-8H,1-2H3,(H,17,19)(H,18,21)
InChIKeyDESLIQKTKAOYET-UHFFFAOYSA-N
XLogP3.34
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.34
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-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
CID 107143575
N-(5-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 43806323
N-(4-methoxyphenyl)-2-methyl-6-nitrobenzamide
CID 18174615
2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 104620167
2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
N-(4-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 28880206
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-methyl-6-nitrobenzamide
CID 79530886
2-methyl-6-nitro-N-(2H-tetrazol-5-yl)benzamide
CID 13267886
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-6-nitrobenzamide
CID 150262373
2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
CID 103730390
N-(3-hydroxy-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 64793808
1-(4-methyl-1H-indazol-6-yl)-3-(1H-pyrazol-5-yl)urea
CID 166226374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide?
The IUPAC name of 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide (CID 122150956) is 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide is Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(C)c2cn[nH]c2c1.
What is the InChIKey of 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide?
The InChIKey is DESLIQKTKAOYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-9-4-3-5-14(20(22)23)15(9)16(21)18-11-6-10(2)12-8-17-19-13(12)7-11/h3-8H,1-2H3,(H,17,19)(H,18,21).
What are the key properties of 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide?
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide has a molecular weight of 310.31 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide is sourced from PubChem (CID 122150956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).