2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide

C17H17N3O4 — CID 17399635

IUPAC2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C17H17N3O4/c1-3-23-17-12(5-4-8-18-17)16(22)19-11-6-7-14-13(9-11)20-15(21)10(2)24-14/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMFKROFJBJLPELE-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.45
Rot. Bonds4

About 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide

2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide (PubChem CID 17399635) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
PubChem CID17399635
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C17H17N3O4/c1-3-23-17-12(5-4-8-18-17)16(22)19-11-6-7-14-13(9-11)20-15(21)10(2)24-14/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMFKROFJBJLPELE-UHFFFAOYSA-N
XLogP2.45
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide (CID 17399635) is 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
The InChIKey is MFKROFJBJLPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-23-17-12(5-4-8-18-17)16(22)19-11-6-7-14-13(9-11)20-15(21)10(2)24-14/h4-10H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide?
2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 17399635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).