1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone

C23H24N4O2 — CID 59373992

IUPAC1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C23H24N4O2/c1-17(28)27-15-5-6-18(16-27)21-7-4-14-25-23(21)29-20-11-9-19(10-12-20)26-22-8-2-3-13-24-22/h2-4,7-14,18H,5-6,15-16H2,1H3,(H,24,26)
InChIKeyLLZYZBVATYCRNU-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.74
Rot. Bonds5

About 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone

1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 59373992) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID59373992
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C23H24N4O2/c1-17(28)27-15-5-6-18(16-27)21-7-4-14-25-23(21)29-20-11-9-19(10-12-20)26-22-8-2-3-13-24-22/h2-4,7-14,18H,5-6,15-16H2,1H3,(H,24,26)
InChIKeyLLZYZBVATYCRNU-UHFFFAOYSA-N
XLogP4.74
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone (CID 59373992) is 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is LLZYZBVATYCRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17(28)27-15-5-6-18(16-27)21-7-4-14-25-23(21)29-20-11-9-19(10-12-20)26-22-8-2-3-13-24-22/h2-4,7-14,18H,5-6,15-16H2,1H3,(H,24,26).
What are the key properties of 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 388.47 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 59373992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).