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

C20H17ClN4O — CID 56680564

IUPAC[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H17ClN4O/c21-16-4-1-3-14(11-16)17-7-6-15(12-24-17)19-5-2-10-25(19)20(26)18-13-22-8-9-23-18/h1,3-4,6-9,11-13,19H,2,5,10H2
InChIKeyVUTGVPBYFVEYNJ-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.17
Rot. Bonds3

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

[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56680564) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID56680564
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1
InChIInChI=1S/C20H17ClN4O/c21-16-4-1-3-14(11-16)17-7-6-15(12-24-17)19-5-2-10-25(19)20(26)18-13-22-8-9-23-18/h1,3-4,6-9,11-13,19H,2,5,10H2
InChIKeyVUTGVPBYFVEYNJ-UHFFFAOYSA-N
XLogP4.17
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 56680564) is [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCCC1c1ccc(-c2cccc(Cl)c2)nc1.
What is the InChIKey of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is VUTGVPBYFVEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c21-16-4-1-3-14(11-16)17-7-6-15(12-24-17)19-5-2-10-25(19)20(26)18-13-22-8-9-23-18/h1,3-4,6-9,11-13,19H,2,5,10H2.
What are the key properties of [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 364.84 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3-chlorophenyl)-3-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56680564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).