1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

C21H24N4O3 — CID 58548142

IUPAC1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3ccccn3)C2)C1
InChIInChI=1S/C21H24N4O3/c1-15(26)24-11-5-6-16(12-24)18-7-4-10-23-20(18)28-17-13-25(14-17)21(27)19-8-2-3-9-22-19/h2-4,7-10,16-17H,5-6,11-14H2,1H3
InChIKeyIMCPBYGSIMARFY-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.11
Rot. Bonds4

About 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone

1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 58548142) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID58548142
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3ccccn3)C2)C1
InChIInChI=1S/C21H24N4O3/c1-15(26)24-11-5-6-16(12-24)18-7-4-10-23-20(18)28-17-13-25(14-17)21(27)19-8-2-3-9-22-19/h2-4,7-10,16-17H,5-6,11-14H2,1H3
InChIKeyIMCPBYGSIMARFY-UHFFFAOYSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone (CID 58548142) is 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cccnc2OC2CN(C(=O)c3ccccn3)C2)C1.
What is the InChIKey of 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is IMCPBYGSIMARFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15(26)24-11-5-6-16(12-24)18-7-4-10-23-20(18)28-17-13-25(14-17)21(27)19-8-2-3-9-22-19/h2-4,7-10,16-17H,5-6,11-14H2,1H3.
What are the key properties of 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone?
1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[1-(pyridine-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 58548142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).