N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide

C16H14N2O4 — CID 11437974

IUPACN-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide
SMILESCCn1c(=O)c(NC(C)=O)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C16H14N2O4/c1-3-18-14-10-6-4-5-7-13(10)22-16(21)11(14)8-12(15(18)20)17-9(2)19/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyVAUZJMDDOBLQFD-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.09
Rot. Bonds2

About N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide

N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide (PubChem CID 11437974) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide
PubChem CID11437974
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide
SMILESCCn1c(=O)c(NC(C)=O)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C16H14N2O4/c1-3-18-14-10-6-4-5-7-13(10)22-16(21)11(14)8-12(15(18)20)17-9(2)19/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyVAUZJMDDOBLQFD-UHFFFAOYSA-N
XLogP2.09
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide (CID 11437974) is N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide is CCn1c(=O)c(NC(C)=O)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide?
The InChIKey is VAUZJMDDOBLQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-3-18-14-10-6-4-5-7-13(10)22-16(21)11(14)8-12(15(18)20)17-9(2)19/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide?
N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide has a molecular weight of 298.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2,5-dioxochromeno[4,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 11437974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).