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

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

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Related Compounds

1-[(3R)-3-[2-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 68605889
tert-butyl 4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidine-1-carboxylate
CID 59374012
1-[3-[2-[4-(1,3-benzothiazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 89459508
N-[4-[(3-cyclohex-3-en-1-yl-2-pyridinyl)oxy]phenyl]pyridin-2-amine
CID 67426031
[3-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]cyclopentyl]methanol
CID 67569571
1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]piperidin-3-ol
CID 46831505
4-[3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-1-carboxylic acid
CID 67425066
N-[4-[[3-(3-aminopiperidin-1-yl)-2-pyridinyl]oxy]phenyl]pyridin-2-amine
CID 70875227
N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373973
N-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
CID 59373977
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[1-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrrolidin-3-yl]methanol
CID 59374018

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).