N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide

C14H14N4O3 — CID 115549122

IUPACN-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide
SMILESCNc1cccc(C(=O)N(C)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-15-12-7-3-6-11(13(12)18(20)21)14(19)17(2)10-5-4-8-16-9-10/h3-9,15H,1-2H3
InChIKeyXNKOUTKJKLGSHU-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.31
Rot. Bonds4

About N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide

N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide (PubChem CID 115549122) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide
PubChem CID115549122
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide
SMILESCNc1cccc(C(=O)N(C)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-15-12-7-3-6-11(13(12)18(20)21)14(19)17(2)10-5-4-8-16-9-10/h3-9,15H,1-2H3
InChIKeyXNKOUTKJKLGSHU-UHFFFAOYSA-N
XLogP2.31
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.31
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

N-methyl-3-(methylamino)-2-nitro-N-phenylbenzamide
CID 115548256
N,6-dimethyl-4-(methylamino)-N-pyridin-3-ylpyridine-3-carboxamide
CID 81242111
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115548666
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
N-methyl-4-nitro-N-pyridin-3-ylbenzamide
CID 59607131
N-(1H-imidazol-2-ylmethyl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115549162
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 115548904
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 115548497
N-[1-(dimethylamino)propan-2-yl]-3-(methylamino)-2-nitrobenzamide
CID 82950772
3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 115548346
N-(2-imidazol-1-ylethyl)-3-(methylamino)-2-nitrobenzamide
CID 115548920
3-(methylamino)-2-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115548761

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide?
The IUPAC name of N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide (CID 115549122) is N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide?
The canonical SMILES for N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide is CNc1cccc(C(=O)N(C)c2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide?
The InChIKey is XNKOUTKJKLGSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-15-12-7-3-6-11(13(12)18(20)21)14(19)17(2)10-5-4-8-16-9-10/h3-9,15H,1-2H3.
What are the key properties of N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide?
N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide has a molecular weight of 286.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylamino)-2-nitro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 115549122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).