N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide

C17H25N3OS — CID 156605417

IUPACN-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CN(Cc2cccc(C)n2)CC1C1CC1
InChIInChI=1S/C17H25N3OS/c1-12-4-3-5-14(18-12)8-20-9-15(13-6-7-13)16(10-20)19-17(21)11-22-2/h3-5,13,15-16H,6-11H2,1-2H3,(H,19,21)
InChIKeyNLGFFYLIFGPNLQ-UHFFFAOYSA-N
MW319.47 g/mol
LogP2.08
Rot. Bonds6

About N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide

N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide (PubChem CID 156605417) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide
PubChem CID156605417
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC1CN(Cc2cccc(C)n2)CC1C1CC1
InChIInChI=1S/C17H25N3OS/c1-12-4-3-5-14(18-12)8-20-9-15(13-6-7-13)16(10-20)19-17(21)11-22-2/h3-5,13,15-16H,6-11H2,1-2H3,(H,19,21)
InChIKeyNLGFFYLIFGPNLQ-UHFFFAOYSA-N
XLogP2.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide (CID 156605417) is N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)NC1CN(Cc2cccc(C)n2)CC1C1CC1.
What is the InChIKey of N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is NLGFFYLIFGPNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-12-4-3-5-14(18-12)8-20-9-15(13-6-7-13)16(10-20)19-17(21)11-22-2/h3-5,13,15-16H,6-11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide?
N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 319.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 156605417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).