3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide

C22H20N2O4 — CID 4838333

IUPAC3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1coc2cc3oc(=O)c(CCC(=O)NCc4ccccn4)c(C)c3cc12
InChIInChI=1S/C22H20N2O4/c1-13-12-27-19-10-20-18(9-17(13)19)14(2)16(22(26)28-20)6-7-21(25)24-11-15-5-3-4-8-23-15/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,24,25)
InChIKeyIDYLZBMYUOISRS-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.80
Rot. Bonds5

About 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 4838333) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID4838333
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1coc2cc3oc(=O)c(CCC(=O)NCc4ccccn4)c(C)c3cc12
InChIInChI=1S/C22H20N2O4/c1-13-12-27-19-10-20-18(9-17(13)19)14(2)16(22(26)28-20)6-7-21(25)24-11-15-5-3-4-8-23-15/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,24,25)
InChIKeyIDYLZBMYUOISRS-UHFFFAOYSA-N
XLogP3.80
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 4838333) is 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide is Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccccn4)c(C)c3cc12.
What is the InChIKey of 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is IDYLZBMYUOISRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13-12-27-19-10-20-18(9-17(13)19)14(2)16(22(26)28-20)6-7-21(25)24-11-15-5-3-4-8-23-15/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,24,25).
What are the key properties of 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 376.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 4838333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).