[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C17H20ClN3O2 — CID 133270752

IUPAC[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCCc2ccco2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H20ClN3O2/c18-15-11-13(17(22)21-8-2-1-3-9-21)12-20-16(15)19-7-6-14-5-4-10-23-14/h4-5,10-12H,1-3,6-9H2,(H,19,20)
InChIKeyWNCJUDWALPULFE-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.61
Rot. Bonds5

About [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133270752) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133270752
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCCc2ccco2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H20ClN3O2/c18-15-11-13(17(22)21-8-2-1-3-9-21)12-20-16(15)19-7-6-14-5-4-10-23-14/h4-5,10-12H,1-3,6-9H2,(H,19,20)
InChIKeyWNCJUDWALPULFE-UHFFFAOYSA-N
XLogP3.61
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(furan-2-yl)ethylamino]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134709793
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271024
N-[2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
CID 60561707
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
5-chloro-N-[2-(furan-2-yl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 55047426
N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
CID 56555861
[5-chloro-6-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133346754
[5-chloro-6-[[2-hydroxy-2-(5-methylfuran-2-yl)propyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133353084
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133270752) is [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NCCc2ccco2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is WNCJUDWALPULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-15-11-13(17(22)21-8-2-1-3-9-21)12-20-16(15)19-7-6-14-5-4-10-23-14/h4-5,10-12H,1-3,6-9H2,(H,19,20).
What are the key properties of [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 333.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133270752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).