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

C23H24N2O5 — CID 8016637

IUPACN-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1c(C)c2c(OCC(=O)Nc3cccnc3)cc3c(c2oc1=O)CCC(C)(C)O3
InChIInChI=1S/C23H24N2O5/c1-13-14(2)22(27)29-21-16-7-8-23(3,4)30-17(16)10-18(20(13)21)28-12-19(26)25-15-6-5-9-24-11-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,25,26)
InChIKeyMASKHUXEBQKXCA-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.93
Rot. Bonds4

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

N-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (PubChem CID 8016637) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
PubChem CID8016637
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC NameN-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide
SMILESCc1c(C)c2c(OCC(=O)Nc3cccnc3)cc3c(c2oc1=O)CCC(C)(C)O3
InChIInChI=1S/C23H24N2O5/c1-13-14(2)22(27)29-21-16-7-8-23(3,4)30-17(16)10-18(20(13)21)28-12-19(26)25-15-6-5-9-24-11-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,25,26)
InChIKeyMASKHUXEBQKXCA-UHFFFAOYSA-N
XLogP3.93
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-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-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide (CID 8016637) is N-pyridin-3-yl-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-3-yl-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-3-yl-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)Nc3cccnc3)cc3c(c2oc1=O)CCC(C)(C)O3.
What is the InChIKey of N-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
The InChIKey is MASKHUXEBQKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-13-14(2)22(27)29-21-16-7-8-23(3,4)30-17(16)10-18(20(13)21)28-12-19(26)25-15-6-5-9-24-11-15/h5-6,9-11H,7-8,12H2,1-4H3,(H,25,26).
What are the key properties of N-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide?
N-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide has a molecular weight of 408.45 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[(3,4,8,8-tetramethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]acetamide is sourced from PubChem (CID 8016637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).