N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C18H19N3O5 — CID 55744827

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cn1
InChIInChI=1S/C18H19N3O5/c1-24-6-7-25-17-5-2-12(9-19-17)10-20-18(23)13-3-4-14-15(8-13)26-11-16(22)21-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyUOTBKXRATYNEEB-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.37
Rot. Bonds7

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 55744827) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID55744827
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cn1
InChIInChI=1S/C18H19N3O5/c1-24-6-7-25-17-5-2-12(9-19-17)10-20-18(23)13-3-4-14-15(8-13)26-11-16(22)21-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyUOTBKXRATYNEEB-UHFFFAOYSA-N
XLogP1.37
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 55744827) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is COCCOc1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is UOTBKXRATYNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-24-6-7-25-17-5-2-12(9-19-17)10-20-18(23)13-3-4-14-15(8-13)26-11-16(22)21-14/h2-5,8-9H,6-7,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 55744827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).