8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

C20H20N2O5 — CID 121085165

IUPAC8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C20H20N2O5/c1-25-11-10-22(13-14-6-8-21-9-7-14)19(23)16-12-15-4-3-5-17(26-2)18(15)27-20(16)24/h3-9,12H,10-11,13H2,1-2H3
InChIKeyKLMDCVMPJYAYHN-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.49
Rot. Bonds7

About 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (PubChem CID 121085165) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
PubChem CID121085165
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1cc2cccc(OC)c2oc1=O
InChIInChI=1S/C20H20N2O5/c1-25-11-10-22(13-14-6-8-21-9-7-14)19(23)16-12-15-4-3-5-17(26-2)18(15)27-20(16)24/h3-9,12H,10-11,13H2,1-2H3
InChIKeyKLMDCVMPJYAYHN-UHFFFAOYSA-N
XLogP2.49
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (CID 121085165) is 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is COCCN(Cc1ccncc1)C(=O)c1cc2cccc(OC)c2oc1=O.
What is the InChIKey of 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The InChIKey is KLMDCVMPJYAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-11-10-22(13-14-6-8-21-9-7-14)19(23)16-12-15-4-3-5-17(26-2)18(15)27-20(16)24/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 121085165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).