N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide

C23H22N2O4 — CID 4837634

IUPACN-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
SMILESCc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4ccccn4)c(C)c3cc12
InChIInChI=1S/C23H22N2O4/c1-13-12-28-21-15(3)22-19(10-18(13)21)14(2)17(23(27)29-22)7-8-20(26)25-11-16-6-4-5-9-24-16/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,25,26)
InChIKeyGTIRLRHJVODYPX-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.11
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide

N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide (PubChem CID 4837634) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
PubChem CID4837634
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide
SMILESCc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4ccccn4)c(C)c3cc12
InChIInChI=1S/C23H22N2O4/c1-13-12-28-21-15(3)22-19(10-18(13)21)14(2)17(23(27)29-22)7-8-20(26)25-11-16-6-4-5-9-24-16/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,25,26)
InChIKeyGTIRLRHJVODYPX-UHFFFAOYSA-N
XLogP4.11
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.11
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 N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide (CID 4837634) is N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide is Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4ccccn4)c(C)c3cc12.
What is the InChIKey of N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
The InChIKey is GTIRLRHJVODYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-13-12-28-21-15(3)22-19(10-18(13)21)14(2)17(23(27)29-22)7-8-20(26)25-11-16-6-4-5-9-24-16/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,25,26).
What are the key properties of N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide?
N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide has a molecular weight of 390.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanamide is sourced from PubChem (CID 4837634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).