N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide

C15H15N3O4 — CID 71982985

IUPACN-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide
SMILESCOc1ccc(C)nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H15N3O4/c1-9-8-11(5-6-12(9)18(20)21)15(19)17-14-13(22-3)7-4-10(2)16-14/h4-8H,1-3H3,(H,16,17,19)
InChIKeyKKXAKWMDLXKTLN-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.87
Rot. Bonds4

About N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide

N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide (PubChem CID 71982985) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide
PubChem CID71982985
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide
SMILESCOc1ccc(C)nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H15N3O4/c1-9-8-11(5-6-12(9)18(20)21)15(19)17-14-13(22-3)7-4-10(2)16-14/h4-8H,1-3H3,(H,16,17,19)
InChIKeyKKXAKWMDLXKTLN-UHFFFAOYSA-N
XLogP2.87
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
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

methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-nitrobenzamide
CID 9106568
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-methyl-4-nitrobenzamide
CID 94048963
N-(3-chloropyrazin-2-yl)-3-methoxy-4-nitrobenzamide
CID 102989249
3-(methoxymethyl)-N-(3-methoxy-6-methyl-2-pyridinyl)benzamide
CID 71982976
3-methyl-N-[(6-methyl-2-pyridinyl)carbamothioyl]-4-nitrobenzamide
CID 3757488
3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
CID 5110983
4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
CID 739661
N-(4-methoxy-3,5-dinitrophenyl)-3,4-dimethylbenzamide
CID 17050362
5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 7278870
methyl (2S)-3-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]butanoate
CID 27895848
N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide?
The IUPAC name of N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide (CID 71982985) is N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide is COc1ccc(C)nc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide?
The InChIKey is KKXAKWMDLXKTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-9-8-11(5-6-12(9)18(20)21)15(19)17-14-13(22-3)7-4-10(2)16-14/h4-8H,1-3H3,(H,16,17,19).
What are the key properties of N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide?
N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide has a molecular weight of 301.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-6-methyl-2-pyridinyl)-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 71982985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).