7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one

C20H21N3O4 — CID 135154104

IUPAC7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
SMILESCOc1ccc(OC2CCN(c3nc4occc(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C20H21N3O4/c1-13-11-16-17(24)7-10-26-20(16)22-19(13)23-8-5-14(6-9-23)27-15-3-4-18(25-2)21-12-15/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3
InChIKeyUJKMZIZDSMIGTE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.95
Rot. Bonds4

About 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one

7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one (PubChem CID 135154104) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
PubChem CID135154104
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one
SMILESCOc1ccc(OC2CCN(c3nc4occc(=O)c4cc3C)CC2)cn1
InChIInChI=1S/C20H21N3O4/c1-13-11-16-17(24)7-10-26-20(16)22-19(13)23-8-5-14(6-9-23)27-15-3-4-18(25-2)21-12-15/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3
InChIKeyUJKMZIZDSMIGTE-UHFFFAOYSA-N
XLogP2.95
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one (CID 135154104) is 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one is COc1ccc(OC2CCN(c3nc4occc(=O)c4cc3C)CC2)cn1.
What is the InChIKey of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?
The InChIKey is UJKMZIZDSMIGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13-11-16-17(24)7-10-26-20(16)22-19(13)23-8-5-14(6-9-23)27-15-3-4-18(25-2)21-12-15/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one?
7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one has a molecular weight of 367.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-6-methylpyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 135154104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).