N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide

C17H13F3N2O4 — CID 58035616

IUPACN-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide
SMILESCON(C)C(=O)Cc1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O4/c1-22(25-2)13(23)8-9-7-11-14(24)10-5-3-4-6-12(10)26-16(11)21-15(9)17(18,19)20/h3-7H,8H2,1-2H3
InChIKeyYUNIQDOEAHDJFI-UHFFFAOYSA-N
MW366.30 g/mol
LogP2.92
Rot. Bonds3

About N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide

N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide (PubChem CID 58035616) has the molecular formula C17H13F3N2O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide
PubChem CID58035616
Molecular FormulaC17H13F3N2O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC NameN-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide
SMILESCON(C)C(=O)Cc1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O4/c1-22(25-2)13(23)8-9-7-11-14(24)10-5-3-4-6-12(10)26-16(11)21-15(9)17(18,19)20/h3-7H,8H2,1-2H3
InChIKeyYUNIQDOEAHDJFI-UHFFFAOYSA-N
XLogP2.92
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide (CID 58035616) is N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide is CON(C)C(=O)Cc1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F.
What is the InChIKey of N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is YUNIQDOEAHDJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4/c1-22(25-2)13(23)8-9-7-11-14(24)10-5-3-4-6-12(10)26-16(11)21-15(9)17(18,19)20/h3-7H,8H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide?
N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 366.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[5-oxo-2-(trifluoromethyl)chromeno[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 58035616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).