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

C14H13N3O4 — CID 739661

IUPAC4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c1-9-5-6-15-13(7-9)16-14(18)10-3-4-12(21-2)11(8-10)17(19)20/h3-8H,1-2H3,(H,15,16,18)
InChIKeyXBVBMPVTOPQGLH-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.56
Rot. Bonds4

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

4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide (PubChem CID 739661) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
PubChem CID739661
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H13N3O4/c1-9-5-6-15-13(7-9)16-14(18)10-3-4-12(21-2)11(8-10)17(19)20/h3-8H,1-2H3,(H,15,16,18)
InChIKeyXBVBMPVTOPQGLH-UHFFFAOYSA-N
XLogP2.56
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.56
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

4-(dimethylamino)-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide
CID 35027996
4-methoxy-3-nitro-N-pyrimidin-4-ylbenzamide
CID 56944158
3-amino-N-(4-methyl-2-pyridinyl)-4-nitrobenzamide
CID 62682844
N-(6-chloropyridazin-3-yl)-4-methoxy-3-nitrobenzamide
CID 115608630
(4-methoxy-3-nitrobenzoyl)carbamic acid;hydrochloride
CID 70634064
3,4-dimethoxy-N-(4-methyl-2-nitrophenyl)benzamide
CID 5110983
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
4-methoxy-3-[methoxy(methyl)sulfamoyl]-N-(4-methyl-2-pyridinyl)benzamide
CID 17443500
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
N-(3-iodo-4-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 7758932
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide (CID 739661) is 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide is COc1ccc(C(=O)Nc2cc(C)ccn2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
The InChIKey is XBVBMPVTOPQGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-5-6-15-13(7-9)16-14(18)10-3-4-12(21-2)11(8-10)17(19)20/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide?
4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide has a molecular weight of 287.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methyl-2-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 739661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).