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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Related Compounds

1,1-dimethyl-3-[(1S,5R)-3-[(6-methyl-2-pyridinyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]urea
CID 98778828
N-[(3S,4R)-4-cyclopropyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 133130563
(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
(3aR,4S,7aR)-4-methoxy-2-[(6-methyl-2-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 97402931
[(3aR,7R,7aR)-2-[(6-methyl-2-pyridinyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-morpholin-4-ylmethanone
CID 97364621
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
N-[(3R,4S)-4-cyclopropyl-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-3-ethoxypropanamide;hydrochloride
CID 154899379
6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
CID 106909365
N-[(3R,4S)-1-[(3-methyl-2-pyridinyl)methyl]-4-propylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 72839443
6-[(6-methyl-2-pyridinyl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682282
N-[[(3R,3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 124796669

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).