ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate

C17H14N2O5 — CID 66650211

IUPACethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1[nH]c(=O)ccc1-c1coc2ccccc2c1=O
InChIInChI=1S/C17H14N2O5/c1-2-23-17(22)19-16-10(7-8-14(20)18-16)12-9-24-13-6-4-3-5-11(13)15(12)21/h3-9H,2H2,1H3,(H2,18,19,20,22)
InChIKeyHSSZMDVDPUMGMP-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.72
Rot. Bonds3

About ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate

ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate (PubChem CID 66650211) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate
PubChem CID66650211
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Nameethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1[nH]c(=O)ccc1-c1coc2ccccc2c1=O
InChIInChI=1S/C17H14N2O5/c1-2-23-17(22)19-16-10(7-8-14(20)18-16)12-9-24-13-6-4-3-5-11(13)15(12)21/h3-9H,2H2,1H3,(H2,18,19,20,22)
InChIKeyHSSZMDVDPUMGMP-UHFFFAOYSA-N
XLogP2.72
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate (CID 66650211) is ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate is CCOC(=O)Nc1[nH]c(=O)ccc1-c1coc2ccccc2c1=O.
What is the InChIKey of ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate?
The InChIKey is HSSZMDVDPUMGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c1-2-23-17(22)19-16-10(7-8-14(20)18-16)12-9-24-13-6-4-3-5-11(13)15(12)21/h3-9H,2H2,1H3,(H2,18,19,20,22).
What are the key properties of ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate?
ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate has a molecular weight of 326.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate is sourced from PubChem (CID 66650211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).