(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

C20H25N3OS — CID 97187222

IUPAC(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCSc1cccc(CN(C)C(=O)[C@H](c2cccnc2)N2CCCC2)c1
InChIInChI=1S/C20H25N3OS/c1-22(15-16-7-5-9-18(13-16)25-2)20(24)19(23-11-3-4-12-23)17-8-6-10-21-14-17/h5-10,13-14,19H,3-4,11-12,15H2,1-2H3/t19-/m0/s1
InChIKeyYWGOXTPRWHOFCI-IBGZPJMESA-N
MW355.51 g/mol
LogP3.60
Rot. Bonds6

About (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide

(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (PubChem CID 97187222) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
PubChem CID97187222
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
SMILESCSc1cccc(CN(C)C(=O)[C@H](c2cccnc2)N2CCCC2)c1
InChIInChI=1S/C20H25N3OS/c1-22(15-16-7-5-9-18(13-16)25-2)20(24)19(23-11-3-4-12-23)17-8-6-10-21-14-17/h5-10,13-14,19H,3-4,11-12,15H2,1-2H3/t19-/m0/s1
InChIKeyYWGOXTPRWHOFCI-IBGZPJMESA-N
XLogP3.60
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
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CID 74230201
(2R)-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97274450
N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 72837629
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72939657
(2R)-2-amino-N,4-dimethyl-N-[(3-methylsulfanylphenyl)methyl]pentanamide
CID 56877658
N-benzyl-2-(dimethylamino)-N-methyl-2-pyridin-3-ylacetamide
CID 110753905
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
(2S)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 97277932
N-[(3-acetamidophenyl)methyl]-N-methyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 167768927
(2R)-2-hydroxy-N-methyl-4-methylsulfanyl-N-(pyridin-3-ylmethyl)butanamide
CID 99970741
(2R)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97271373

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide (CID 97187222) is (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is CSc1cccc(CN(C)C(=O)[C@H](c2cccnc2)N2CCCC2)c1.
What is the InChIKey of (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
The InChIKey is YWGOXTPRWHOFCI-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3OS/c1-22(15-16-7-5-9-18(13-16)25-2)20(24)19(23-11-3-4-12-23)17-8-6-10-21-14-17/h5-10,13-14,19H,3-4,11-12,15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide?
(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide has a molecular weight of 355.51 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 97187222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).