2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide

C21H21N3O5 — CID 21460070

IUPAC2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide
SMILESCc1c(OCC(=O)Nc2cccnc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H21N3O5/c1-14-18(28-13-19(26)23-15-3-2-6-22-12-15)5-4-16-17(25)11-20(29-21(14)16)24-7-9-27-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,23,26)
InChIKeyIKYWHIFAOVPXAQ-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.35
Rot. Bonds5

About 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide

2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide (PubChem CID 21460070) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide
PubChem CID21460070
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide
SMILESCc1c(OCC(=O)Nc2cccnc2)ccc2c(=O)cc(N3CCOCC3)oc12
InChIInChI=1S/C21H21N3O5/c1-14-18(28-13-19(26)23-15-3-2-6-22-12-15)5-4-16-17(25)11-20(29-21(14)16)24-7-9-27-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,23,26)
InChIKeyIKYWHIFAOVPXAQ-UHFFFAOYSA-N
XLogP2.35
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide (CID 21460070) is 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide is Cc1c(OCC(=O)Nc2cccnc2)ccc2c(=O)cc(N3CCOCC3)oc12.
What is the InChIKey of 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide?
The InChIKey is IKYWHIFAOVPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-14-18(28-13-19(26)23-15-3-2-6-22-12-15)5-4-16-17(25)11-20(29-21(14)16)24-7-9-27-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,23,26).
What are the key properties of 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide?
2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide has a molecular weight of 395.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxy-N-pyridin-3-ylacetamide is sourced from PubChem (CID 21460070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).