6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one

C21H24N2O2 — CID 46996577

IUPAC6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one
SMILESCc1ccc2occ(CN(Cc3ccccn3)CC(C)C)c(=O)c2c1
InChIInChI=1S/C21H24N2O2/c1-15(2)11-23(13-18-6-4-5-9-22-18)12-17-14-25-20-8-7-16(3)10-19(20)21(17)24/h4-10,14-15H,11-13H2,1-3H3
InChIKeyFGPZCAWEYJXHEA-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.15
Rot. Bonds6

About 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one

6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one (PubChem CID 46996577) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one.

Molecular Properties

Compound Name6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one
PubChem CID46996577
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one
SMILESCc1ccc2occ(CN(Cc3ccccn3)CC(C)C)c(=O)c2c1
InChIInChI=1S/C21H24N2O2/c1-15(2)11-23(13-18-6-4-5-9-22-18)12-17-14-25-20-8-7-16(3)10-19(20)21(17)24/h4-10,14-15H,11-13H2,1-3H3
InChIKeyFGPZCAWEYJXHEA-UHFFFAOYSA-N
XLogP4.15
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one?
The IUPAC name of 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one (CID 46996577) is 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one.
What is the SMILES notation for 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one?
The canonical SMILES for 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one is Cc1ccc2occ(CN(Cc3ccccn3)CC(C)C)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one?
The InChIKey is FGPZCAWEYJXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)11-23(13-18-6-4-5-9-22-18)12-17-14-25-20-8-7-16(3)10-19(20)21(17)24/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one?
6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one has a molecular weight of 336.44 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[2-methylpropyl(pyridin-2-ylmethyl)amino]methyl]chromen-4-one is sourced from PubChem (CID 46996577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).