1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

C12H15N3O3 — CID 22943140

IUPAC1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)cc(C(=O)NC)c1
InChIInChI=1S/C12H15N3O3/c1-13-10(16)7-4-8(11(17)14-2)6-9(5-7)12(18)15-3/h4-6H,1-3H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeySSTDFQWHDHRYRY-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.23
Rot. Bonds3

About 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide

1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (PubChem CID 22943140) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide.

Molecular Properties

Compound Name1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
PubChem CID22943140
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
SMILESCNC(=O)c1cc(C(=O)NC)cc(C(=O)NC)c1
InChIInChI=1S/C12H15N3O3/c1-13-10(16)7-4-8(11(17)14-2)6-9(5-7)12(18)15-3/h4-6H,1-3H3,(H,13,16)(H,14,17)(H,15,18)
InChIKeySSTDFQWHDHRYRY-UHFFFAOYSA-N
XLogP-0.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-diacetyl-N-methylbenzamide;ethane
CID 142854666
N,3,5-trimethylbenzamide;hydrochloride
CID 139561221
3-methyl-5-(methylcarbamoyl)benzoic acid
CID 147633553
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
CID 159329944
N,3-dimethyl-5-(methylamino)benzamide
CID 88971249
N-methylbenzamide
CID 11954
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 59355711
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
[2,3-diacetyloxy-5-(methylcarbamoyl)phenyl] acetate
CID 23335105
3-hydroxy-5-methoxy-N-methylbenzamide
CID 59127123

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The IUPAC name of 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide (CID 22943140) is 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide.
What is the SMILES notation for 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The canonical SMILES for 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is CNC(=O)c1cc(C(=O)NC)cc(C(=O)NC)c1.
What is the InChIKey of 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
The InChIKey is SSTDFQWHDHRYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-13-10(16)7-4-8(11(17)14-2)6-9(5-7)12(18)15-3/h4-6H,1-3H3,(H,13,16)(H,14,17)(H,15,18).
What are the key properties of 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide?
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide is sourced from PubChem (CID 22943140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).