[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H21N3OS — CID 166239507

IUPAC[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(CCSc2ccc(C(=O)N3CCCC3)cn2)n1
InChIInChI=1S/C18H21N3OS/c1-14-5-4-6-16(20-14)9-12-23-17-8-7-15(13-19-17)18(22)21-10-2-3-11-21/h4-8,13H,2-3,9-12H2,1H3
InChIKeyKLOAAMHXAIDCGY-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.36
Rot. Bonds5

About [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 166239507) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID166239507
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(CCSc2ccc(C(=O)N3CCCC3)cn2)n1
InChIInChI=1S/C18H21N3OS/c1-14-5-4-6-16(20-14)9-12-23-17-8-7-15(13-19-17)18(22)21-10-2-3-11-21/h4-8,13H,2-3,9-12H2,1H3
InChIKeyKLOAAMHXAIDCGY-UHFFFAOYSA-N
XLogP3.36
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methylsulfanyl-3-pyridinyl)-piperidin-1-ylmethanone
CID 142545270
[6-[3-(4-methoxyphenoxy)propylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55578558
[6-[(2,6-dichlorophenyl)methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 38081740
[6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 46226045
4-[2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethyl]benzonitrile
CID 146107246
[6-[2-(4-fluorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 47021058
[6-[2-(4-chlorophenoxy)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 55535867
(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
CID 46377940
[6-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 38081729
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanyl]ethanone
CID 52559891

Frequently Asked Questions

What is the IUPAC name of [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 166239507) is [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1cccc(CCSc2ccc(C(=O)N3CCCC3)cn2)n1.
What is the InChIKey of [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KLOAAMHXAIDCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-14-5-4-6-16(20-14)9-12-23-17-8-7-15(13-19-17)18(22)21-10-2-3-11-21/h4-8,13H,2-3,9-12H2,1H3.
What are the key properties of [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 327.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(6-methyl-2-pyridinyl)ethylsulfanyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 166239507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).