N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide

C19H16N2O4 — CID 121389352

IUPACN-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide
SMILESCC(=O)NC1COCc2c(-c3ccc4oc(=O)ccc4c3)cncc21
InChIInChI=1S/C19H16N2O4/c1-11(22)21-17-10-24-9-16-14(7-20-8-15(16)17)12-2-4-18-13(6-12)3-5-19(23)25-18/h2-8,17H,9-10H2,1H3,(H,21,22)
InChIKeyYIVJUNDOLWHTED-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.56
Rot. Bonds2

About N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide

N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide (PubChem CID 121389352) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide
PubChem CID121389352
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide
SMILESCC(=O)NC1COCc2c(-c3ccc4oc(=O)ccc4c3)cncc21
InChIInChI=1S/C19H16N2O4/c1-11(22)21-17-10-24-9-16-14(7-20-8-15(16)17)12-2-4-18-13(6-12)3-5-19(23)25-18/h2-8,17H,9-10H2,1H3,(H,21,22)
InChIKeyYIVJUNDOLWHTED-UHFFFAOYSA-N
XLogP2.56
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.56
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 N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
The IUPAC name of N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide (CID 121389352) is N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide.
What is the SMILES notation for N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
The canonical SMILES for N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide is CC(=O)NC1COCc2c(-c3ccc4oc(=O)ccc4c3)cncc21.
What is the InChIKey of N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
The InChIKey is YIVJUNDOLWHTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(22)21-17-10-24-9-16-14(7-20-8-15(16)17)12-2-4-18-13(6-12)3-5-19(23)25-18/h2-8,17H,9-10H2,1H3,(H,21,22).
What are the key properties of N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide is sourced from PubChem (CID 121389352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).