[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone

C20H27N3OS — CID 126779126

IUPAC[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
SMILESCCCN(C)CC1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1
InChIInChI=1S/C20H27N3OS/c1-4-9-22(3)12-16-7-10-23(13-16)20(24)18-5-6-19(21-15(18)2)17-8-11-25-14-17/h5-6,8,11,14,16H,4,7,9-10,12-13H2,1-3H3
InChIKeyGNHHAEVCDGSIQM-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.92
Rot. Bonds6

About [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone

[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone (PubChem CID 126779126) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
PubChem CID126779126
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
SMILESCCCN(C)CC1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1
InChIInChI=1S/C20H27N3OS/c1-4-9-22(3)12-16-7-10-23(13-16)20(24)18-5-6-19(21-15(18)2)17-8-11-25-14-17/h5-6,8,11,14,16H,4,7,9-10,12-13H2,1-3H3
InChIKeyGNHHAEVCDGSIQM-UHFFFAOYSA-N
XLogP3.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119644492
(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126788105
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 119635243
(3-hydroxypiperidin-1-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 110922130
1,4-diazepan-1-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119414456
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 120537434
(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119895929
6-methyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129400886
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 120647549
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
(5-amino-2-methylphenyl)-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]methanone;dihydrochloride
CID 120647548
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 124938243

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
The IUPAC name of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone (CID 126779126) is [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone.
What is the SMILES notation for [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
The canonical SMILES for [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone is CCCN(C)CC1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)C1.
What is the InChIKey of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
The InChIKey is GNHHAEVCDGSIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-4-9-22(3)12-16-7-10-23(13-16)20(24)18-5-6-19(21-15(18)2)17-8-11-25-14-17/h5-6,8,11,14,16H,4,7,9-10,12-13H2,1-3H3.
What are the key properties of [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone?
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone has a molecular weight of 357.52 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone is sourced from PubChem (CID 126779126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).