1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone

C23H23ClN4O2 — CID 59374303

IUPAC1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C23H23ClN4O2/c1-16(29)28-13-10-17(11-14-28)21-3-2-12-25-23(21)30-20-7-5-19(6-8-20)27-22-9-4-18(24)15-26-22/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyVIBAYRQTDLTCKX-UHFFFAOYSA-N
MW422.92 g/mol
LogP5.39
Rot. Bonds5

About 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 59374303) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
PubChem CID59374303
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC Name1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(Cl)cn3)cc2)CC1
InChIInChI=1S/C23H23ClN4O2/c1-16(29)28-13-10-17(11-14-28)21-3-2-12-25-23(21)30-20-7-5-19(6-8-20)27-22-9-4-18(24)15-26-22/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,26,27)
InChIKeyVIBAYRQTDLTCKX-UHFFFAOYSA-N
XLogP5.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

Sivopixant
CID 117752163
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 127043920
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785
3-[(2-Chlorophenyl)methyl]-1-(4-methoxyphenyl)-1-[2-(propan-2-ylamino)pyrimidin-4-yl]urea
CID 11633262
4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
CID 21037648
3-[(2-chlorophenyl)methyl]-1-(4-ethoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 44412818
1-(4-(6-Amino-5-((methoxyimino)methyl)pyrimidin-4-yloxy)-2-chlorophenyl)-3-(pyridin-4-yl)urea
CID 44511484
1-(4-(6-Amino-5-((methoxyimino)methyl)pyrimidin-4-yloxy)-2-chlorophenyl)-3-(pyridin-2-yl)urea
CID 44511678
N-(5-chloro-2-pyridinyl)-2-oxo-2-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylacetamide
CID 139295389
(2S)-3-[3-[(4-chlorophenyl)methyl]-4-[4-[(5-fluoro-2-pyridinyl)oxy]anilino]-2,6-dioxo-1,3,5-triazin-1-yl]-2-methylpropanoic acid
CID 145593644
US11773078, Example 250
CID 146241322

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone (CID 59374303) is 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccnc2Oc2ccc(Nc3ccc(Cl)cn3)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is VIBAYRQTDLTCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-16(29)28-13-10-17(11-14-28)21-3-2-12-25-23(21)30-20-7-5-19(6-8-20)27-22-9-4-18(24)15-26-22/h2-9,12,15,17H,10-11,13-14H2,1H3,(H,26,27).
What are the key properties of 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 422.92 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[(5-chloro-2-pyridinyl)amino]phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 59374303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).