2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide

C18H16N2O4 — CID 666087

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C18H16N2O4/c1-12-7-18(22)24-16-8-14(4-5-15(12)16)23-11-17(21)20-10-13-3-2-6-19-9-13/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyNFPWBLGNWVWOQF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 666087) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
PubChem CID666087
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12
InChIInChI=1S/C18H16N2O4/c1-12-7-18(22)24-16-8-14(4-5-15(12)16)23-11-17(21)20-10-13-3-2-6-19-9-13/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyNFPWBLGNWVWOQF-UHFFFAOYSA-N
XLogP2.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.19
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-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide (CID 666087) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide is Cc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is NFPWBLGNWVWOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-7-18(22)24-16-8-14(4-5-15(12)16)23-11-17(21)20-10-13-3-2-6-19-9-13/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 666087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).