2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide

C14H14N4O3 — CID 104773290

IUPAC2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
SMILESCNc1c(C(=O)Nc2cncc(C)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-9-6-10(8-16-7-9)17-14(19)11-4-3-5-12(18(20)21)13(11)15-2/h3-8,15H,1-2H3,(H,17,19)
InChIKeyXCHHUDCCQAGHSW-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.59
Rot. Bonds4

About 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide

2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide (PubChem CID 104773290) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
PubChem CID104773290
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide
SMILESCNc1c(C(=O)Nc2cncc(C)c2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-9-6-10(8-16-7-9)17-14(19)11-4-3-5-12(18(20)21)13(11)15-2/h3-8,15H,1-2H3,(H,17,19)
InChIKeyXCHHUDCCQAGHSW-UHFFFAOYSA-N
XLogP2.59
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 115936364
5-(methylamino)-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 107586666
N-(4-bromophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936424
2-(methylamino)-N-(1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 115936516
5-fluoro-N-(5-methyl-3-pyridinyl)-2-nitrobenzamide
CID 103738999
2-(methylamino)-N-(2-methylphenyl)-3-nitrobenzamide
CID 115936448
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
N-(2-iodophenyl)-2-(methylamino)-3-nitrobenzamide
CID 115936457
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
N',N'-dimethyl-2-(methylamino)-3-nitrobenzohydrazide
CID 112580635
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 112580537
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide (CID 104773290) is 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide is CNc1c(C(=O)Nc2cncc(C)c2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide?
The InChIKey is XCHHUDCCQAGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-6-10(8-16-7-9)17-14(19)11-4-3-5-12(18(20)21)13(11)15-2/h3-8,15H,1-2H3,(H,17,19).
What are the key properties of 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide?
2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(5-methyl-3-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 104773290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).