[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

C20H17ClN2OS — CID 56683901

IUPAC[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2
InChIKeyILFNJXKQDRVMOX-UHFFFAOYSA-N
MW368.89 g/mol
LogP5.44
Rot. Bonds3

About [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone

[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 56683901) has the molecular formula C20H17ClN2OS and a molecular weight of 368.89 g/mol. Its IUPAC name is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID56683901
Molecular FormulaC20H17ClN2OS
Molecular Weight368.89 g/mol
Exact Mass368.08
IUPAC Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2
InChIKeyILFNJXKQDRVMOX-UHFFFAOYSA-N
XLogP5.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.89
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 56683901) is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is ILFNJXKQDRVMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2.
What are the key properties of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone?
[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 368.89 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 56683901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).