2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide

C70H52F2N22O10 — CID 158633844

IUPAC2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)OC(C)(C)O3)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc3c(c2)OCO3)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2nc3cc(F)ccc3o2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2nc3ccc(F)cc3o2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H17N5O3.2C17H11FN6O2.C17H13N5O3/c1-11-21-16(13-6-4-5-9-20-13)23-18(22-11)24-17(25)12-7-8-14-15(10-12)27-19(2,3)26-14;1-9-20-14(12-4-2-3-7-19-12)23-17(21-9)24-15(25)16-22-11-6-5-10(18)8-13(11)26-16;1-9-20-14(11-4-2-3-7-19-11)23-17(21-9)24-15(25)16-22-12-8-10(18)5-6-13(12)26-16;1-10-19-15(12-4-2-3-7-18-12)21-17(20-10)22-16(23)11-5-6-13-14(8-11)25-9-24-13/h4-10H,1-3H3,(H,21,22,23,24,25);2*2-8H,1H3,(H,20,21,23,24,25);2-8H,9H2,1H3,(H,19,20,21,22,23)
InChIKeyHZNDGWDGYVYBHC-UHFFFAOYSA-N
MW1399.33 g/mol
LogP10.77
Rot. Bonds12

About 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide

2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 158633844) has the molecular formula C70H52F2N22O10 and a molecular weight of 1399.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID158633844
Molecular FormulaC70H52F2N22O10
Molecular Weight1399.33 g/mol
Exact Mass1398.42
IUPAC Name2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
SMILESCc1nc(NC(=O)c2ccc3c(c2)OC(C)(C)O3)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc3c(c2)OCO3)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2nc3cc(F)ccc3o2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2nc3ccc(F)cc3o2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H17N5O3.2C17H11FN6O2.C17H13N5O3/c1-11-21-16(13-6-4-5-9-20-13)23-18(22-11)24-17(25)12-7-8-14-15(10-12)27-19(2,3)26-14;1-9-20-14(12-4-2-3-7-19-12)23-17(21-9)24-15(25)16-22-11-6-5-10(18)8-13(11)26-16;1-9-20-14(11-4-2-3-7-19-11)23-17(21-9)24-15(25)16-22-12-8-10(18)5-6-13(12)26-16;1-10-19-15(12-4-2-3-7-18-12)21-17(20-10)22-16(23)11-5-6-13-14(8-11)25-9-24-13/h4-10H,1-3H3,(H,21,22,23,24,25);2*2-8H,1H3,(H,20,21,23,24,25);2-8H,9H2,1H3,(H,19,20,21,22,23)
InChIKeyHZNDGWDGYVYBHC-UHFFFAOYSA-N
XLogP10.77
TPSA411.62 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.33
LogP ≤ 510.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[3-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzoyl]piperazine-1-carboxylate;1-(3,4-dimethoxyphenyl)-2-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazine-1-carbonyl)phenyl]ethanone
CID 123744888
tert-butyl 4-[3-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzoyl]piperazine-1-carboxylate;3,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazine-1-carbonyl)phenyl]benzamide
CID 157968783
2-aminophenol;2-aminopyridine-4-carboxylic acid;4-(1,3-benzoxazol-2-yl)pyridin-2-amine;N-[4-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3,4-dimethoxybenzamide;1-(3,4-dimethoxyphenyl)ethanone
CID 158640840
6-(Azepan-1-yl)-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1,3-benzodioxol-5-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;6-[cyclohexyl(methyl)amino]-5-(4-fluorophenyl)-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid;5-(4-fluorophenyl)-6-[methyl(pyridin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyrazine-2-carboxylic acid
CID 159245512
tert-butyl 4-[[3-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]piperazine-1-carboxylate;3,4-dimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]benzamide
CID 159309581
5-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;N-[4-(1,4-diazepan-1-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;5-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide;5-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-oxazole-2-carboxamide
CID 160720302
Tert-butyl 4-[[3-amino-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]piperazine-1-carboxylate;1-(3,4-dimethoxyphenyl)-2-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-5-(piperazin-1-ylmethyl)phenyl]ethanone
CID 161728906
7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one;7-(4-aminopiperidin-1-yl)-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;2-(4,5-dimethoxy-2-pyridinyl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-[3-(dimethylamino)pyrrolidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)quinolizin-4-one;7-(4-ethylpiperazin-1-yl)-2-(2-methyl-1,3-benzoxazol-6-yl)pyrido[1,2-a]pyrimidin-4-one
CID 162193864

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide (CID 158633844) is 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide is Cc1nc(NC(=O)c2ccc3c(c2)OC(C)(C)O3)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc3c(c2)OCO3)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2nc3cc(F)ccc3o2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2nc3ccc(F)cc3o2)nc(-c2ccccn2)n1.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is HZNDGWDGYVYBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3.2C17H11FN6O2.C17H13N5O3/c1-11-21-16(13-6-4-5-9-20-13)23-18(22-11)24-17(25)12-7-8-14-15(10-12)27-19(2,3)26-14;1-9-20-14(12-4-2-3-7-19-12)23-17(21-9)24-15(25)16-22-11-6-5-10(18)8-13(11)26-16;1-9-20-14(11-4-2-3-7-19-11)23-17(21-9)24-15(25)16-22-12-8-10(18)5-6-13(12)26-16;1-10-19-15(12-4-2-3-7-18-12)21-17(20-10)22-16(23)11-5-6-13-14(8-11)25-9-24-13/h4-10H,1-3H3,(H,21,22,23,24,25);2*2-8H,1H3,(H,20,21,23,24,25);2-8H,9H2,1H3,(H,19,20,21,22,23).
What are the key properties of 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide?
2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 1399.33 g/mol, XLogP of 10.77, 12 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide;5-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;6-fluoro-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole-2-carboxamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 158633844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).