8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide

C18H16N2O4 — CID 1245033

IUPAC8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12
InChIInChI=1S/C18H16N2O4/c1-2-23-15-7-3-6-13-9-14(18(22)24-16(13)15)17(21)20-11-12-5-4-8-19-10-12/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyAUURWKVEGFPZAK-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.52
Rot. Bonds5

About 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide

8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide (PubChem CID 1245033) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
PubChem CID1245033
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12
InChIInChI=1S/C18H16N2O4/c1-2-23-15-7-3-6-13-9-14(18(22)24-16(13)15)17(21)20-11-12-5-4-8-19-10-12/h3-10H,2,11H2,1H3,(H,20,21)
InChIKeyAUURWKVEGFPZAK-UHFFFAOYSA-N
XLogP2.52
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.52
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 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide (CID 1245033) is 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide is CCOc1cccc2cc(C(=O)NCc3cccnc3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The InChIKey is AUURWKVEGFPZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-2-23-15-7-3-6-13-9-14(18(22)24-16(13)15)17(21)20-11-12-5-4-8-19-10-12/h3-10H,2,11H2,1H3,(H,20,21).
What are the key properties of 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxo-N-(pyridin-3-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 1245033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).