2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide

C18H16N2O4 — CID 2161248

IUPAC2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H16N2O4/c1-3-23-18-14(5-4-8-19-18)17(22)20-12-6-7-13-11(2)9-16(21)24-15(13)10-12/h4-10H,3H2,1-2H3,(H,20,22)
InChIKeyUECLTTCHOWHNIS-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.15
Rot. Bonds4

About 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide

2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide (PubChem CID 2161248) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
PubChem CID2161248
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C18H16N2O4/c1-3-23-18-14(5-4-8-19-18)17(22)20-12-6-7-13-11(2)9-16(21)24-15(13)10-12/h4-10H,3H2,1-2H3,(H,20,22)
InChIKeyUECLTTCHOWHNIS-UHFFFAOYSA-N
XLogP3.15
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.15
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 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide (CID 2161248) is 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
The InChIKey is UECLTTCHOWHNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-3-23-18-14(5-4-8-19-18)17(22)20-12-6-7-13-11(2)9-16(21)24-15(13)10-12/h4-10H,3H2,1-2H3,(H,20,22).
What are the key properties of 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide?
2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 2161248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).