4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

C24H22N6O3 — CID 70814385

IUPAC4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)CCc3ccc(C)o3)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H22N6O3/c1-15-6-11-19(33-15)12-13-21(31)28-18-9-7-17(8-10-18)23(32)30-24-27-16(2)26-22(29-24)20-5-3-4-14-25-20/h3-11,14H,12-13H2,1-2H3,(H,28,31)(H,26,27,29,30,32)
InChIKeyDSBNMMHLYIYJIW-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.97
Rot. Bonds7

About 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide

4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (PubChem CID 70814385) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
PubChem CID70814385
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide
SMILESCc1nc(NC(=O)c2ccc(NC(=O)CCc3ccc(C)o3)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C24H22N6O3/c1-15-6-11-19(33-15)12-13-21(31)28-18-9-7-17(8-10-18)23(32)30-24-27-16(2)26-22(29-24)20-5-3-4-14-25-20/h3-11,14H,12-13H2,1-2H3,(H,28,31)(H,26,27,29,30,32)
InChIKeyDSBNMMHLYIYJIW-UHFFFAOYSA-N
XLogP3.97
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide (CID 70814385) is 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is Cc1nc(NC(=O)c2ccc(NC(=O)CCc3ccc(C)o3)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
The InChIKey is DSBNMMHLYIYJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-15-6-11-19(33-15)12-13-21(31)28-18-9-7-17(8-10-18)23(32)30-24-27-16(2)26-22(29-24)20-5-3-4-14-25-20/h3-11,14H,12-13H2,1-2H3,(H,28,31)(H,26,27,29,30,32).
What are the key properties of 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide?
4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide has a molecular weight of 442.48 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methylfuran-2-yl)propanoylamino]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 70814385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).