8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

C20H20N2O4 — CID 6468907

IUPAC8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)N(CC)Cc3ccncc3)c(=O)oc12
InChIInChI=1S/C20H20N2O4/c1-3-22(13-14-8-10-21-11-9-14)19(23)16-12-15-6-5-7-17(25-4-2)18(15)26-20(16)24/h5-12H,3-4,13H2,1-2H3
InChIKeyZCXJCAXGBLMWPC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.25
Rot. Bonds6

About 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (PubChem CID 6468907) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
PubChem CID6468907
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCCOc1cccc2cc(C(=O)N(CC)Cc3ccncc3)c(=O)oc12
InChIInChI=1S/C20H20N2O4/c1-3-22(13-14-8-10-21-11-9-14)19(23)16-12-15-6-5-7-17(25-4-2)18(15)26-20(16)24/h5-12H,3-4,13H2,1-2H3
InChIKeyZCXJCAXGBLMWPC-UHFFFAOYSA-N
XLogP3.25
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-N-(2-methoxyethyl)-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 121085165
N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
CID 807442
3-acetyl-8-ethoxychromen-2-one
CID 3266617
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
8-ethoxy-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121058919
N-ethyl-8-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 1259476
8-ethoxy-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
CID 121119543

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (CID 6468907) is 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is CCOc1cccc2cc(C(=O)N(CC)Cc3ccncc3)c(=O)oc12.
What is the InChIKey of 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The InChIKey is ZCXJCAXGBLMWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-22(13-14-8-10-21-11-9-14)19(23)16-12-15-6-5-7-17(25-4-2)18(15)26-20(16)24/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-ethyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 6468907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).