4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide

C22H21N3O3 — CID 171537353

IUPAC4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide
SMILESCCc1cc(-c2cc(Oc3cnc4c(c3)CCCO4)ccn2)ccc1C(N)=O
InChIInChI=1S/C22H21N3O3/c1-2-14-10-15(5-6-19(14)21(23)26)20-12-17(7-8-24-20)28-18-11-16-4-3-9-27-22(16)25-13-18/h5-8,10-13H,2-4,9H2,1H3,(H2,23,26)
InChIKeyYZSCHFYBLJRYDP-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.92
Rot. Bonds5

About 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide

4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide (PubChem CID 171537353) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide.

Molecular Properties

Compound Name4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide
PubChem CID171537353
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide
SMILESCCc1cc(-c2cc(Oc3cnc4c(c3)CCCO4)ccn2)ccc1C(N)=O
InChIInChI=1S/C22H21N3O3/c1-2-14-10-15(5-6-19(14)21(23)26)20-12-17(7-8-24-20)28-18-11-16-4-3-9-27-22(16)25-13-18/h5-8,10-13H,2-4,9H2,1H3,(H2,23,26)
InChIKeyYZSCHFYBLJRYDP-UHFFFAOYSA-N
XLogP3.92
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide?
The IUPAC name of 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide (CID 171537353) is 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide.
What is the SMILES notation for 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide?
The canonical SMILES for 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide is CCc1cc(-c2cc(Oc3cnc4c(c3)CCCO4)ccn2)ccc1C(N)=O.
What is the InChIKey of 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide?
The InChIKey is YZSCHFYBLJRYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-2-14-10-15(5-6-19(14)21(23)26)20-12-17(7-8-24-20)28-18-11-16-4-3-9-27-22(16)25-13-18/h5-8,10-13H,2-4,9H2,1H3,(H2,23,26).
What are the key properties of 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide?
4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide has a molecular weight of 375.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yloxy)-2-pyridinyl]-2-ethylbenzamide is sourced from PubChem (CID 171537353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).