1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide

C18H22N6O4 — CID 166375037

IUPAC1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(NC(=O)c2nnn(C3CCOC3)c2C)cc(C(=O)NC)c1
InChIInChI=1S/C18H22N6O4/c1-10-15(22-23-24(10)14-4-5-28-9-14)18(27)21-13-7-11(16(25)19-2)6-12(8-13)17(26)20-3/h6-8,14H,4-5,9H2,1-3H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyDQXYWHDOYDBYMA-UHFFFAOYSA-N
MW386.41 g/mol
LogP0.52
Rot. Bonds5

About 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide

1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide (PubChem CID 166375037) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide
PubChem CID166375037
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cc(NC(=O)c2nnn(C3CCOC3)c2C)cc(C(=O)NC)c1
InChIInChI=1S/C18H22N6O4/c1-10-15(22-23-24(10)14-4-5-28-9-14)18(27)21-13-7-11(16(25)19-2)6-12(8-13)17(26)20-3/h6-8,14H,4-5,9H2,1-3H3,(H,19,25)(H,20,26)(H,21,27)
InChIKeyDQXYWHDOYDBYMA-UHFFFAOYSA-N
XLogP0.52
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
methyl 3-[[1-[(3,4-dichlorophenyl)methyl]-5-methyltriazole-4-carbonyl]amino]-5-(methylcarbamoyl)benzoate
CID 59583424
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119832019
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
3-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(oxolan-3-yl)pyrazole-5-carboxamide
CID 171813220
5-methyl-N-(4-methyl-3-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670814
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide (CID 166375037) is 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide is CNC(=O)c1cc(NC(=O)c2nnn(C3CCOC3)c2C)cc(C(=O)NC)c1.
What is the InChIKey of 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide?
The InChIKey is DQXYWHDOYDBYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-10-15(22-23-24(10)14-4-5-28-9-14)18(27)21-13-7-11(16(25)19-2)6-12(8-13)17(26)20-3/h6-8,14H,4-5,9H2,1-3H3,(H,19,25)(H,20,26)(H,21,27).
What are the key properties of 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide?
1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide has a molecular weight of 386.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dimethyl-5-[[5-methyl-1-(oxolan-3-yl)triazole-4-carbonyl]amino]benzene-1,3-dicarboxamide is sourced from PubChem (CID 166375037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).