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

C19H17N5O3 — CID 70814404

IUPAC2,2-dimethyl-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
InChIInChI=1S/C19H17N5O3/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/h4-10H,1-3H3,(H,21,22,23,24,25)
InChIKeyBBZHHWCGYVRUQF-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.00
Rot. Bonds3

About 2,2-dimethyl-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 (PubChem CID 70814404) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 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.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID70814404
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2,2-dimethyl-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
InChIInChI=1S/C19H17N5O3/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/h4-10H,1-3H3,(H,21,22,23,24,25)
InChIKeyBBZHHWCGYVRUQF-UHFFFAOYSA-N
XLogP3.00
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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?
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 (CID 70814404) is 2,2-dimethyl-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?
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 is Cc1nc(NC(=O)c2ccc3c(c2)OC(C)(C)O3)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?
The InChIKey is BBZHHWCGYVRUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/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/h4-10H,1-3H3,(H,21,22,23,24,25).
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?
2,2-dimethyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 70814404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).