N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

C24H26N2O5 — CID 4967664

IUPACN-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1c(C)c2c(OCC(=O)NCc3ccccn3)cc3c(c2oc1=O)CCC(C)(C)O3
InChIInChI=1S/C24H26N2O5/c1-14-15(2)23(28)30-22-17-8-9-24(3,4)31-18(17)11-19(21(14)22)29-13-20(27)26-12-16-7-5-6-10-25-16/h5-7,10-11H,8-9,12-13H2,1-4H3,(H,26,27)
InChIKeyIHNIKSVZHLRVNQ-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.60
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide

N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (PubChem CID 4967664) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
PubChem CID4967664
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1c(C)c2c(OCC(=O)NCc3ccccn3)cc3c(c2oc1=O)CCC(C)(C)O3
InChIInChI=1S/C24H26N2O5/c1-14-15(2)23(28)30-22-17-8-9-24(3,4)31-18(17)11-19(21(14)22)29-13-20(27)26-12-16-7-5-6-10-25-16/h5-7,10-11H,8-9,12-13H2,1-4H3,(H,26,27)
InChIKeyIHNIKSVZHLRVNQ-UHFFFAOYSA-N
XLogP3.60
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (CID 4967664) is N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is Cc1c(C)c2c(OCC(=O)NCc3ccccn3)cc3c(c2oc1=O)CCC(C)(C)O3.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The InChIKey is IHNIKSVZHLRVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-14-15(2)23(28)30-22-17-8-9-24(3,4)31-18(17)11-19(21(14)22)29-13-20(27)26-12-16-7-5-6-10-25-16/h5-7,10-11H,8-9,12-13H2,1-4H3,(H,26,27).
What are the key properties of N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide has a molecular weight of 422.48 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is sourced from PubChem (CID 4967664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).