[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

C17H22N4OS — CID 128997703

IUPAC[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC(CN(C)Cc2cccnc2)C1
InChIInChI=1S/C17H22N4OS/c1-13-16(12-23-19-13)17(22)21-7-5-15(11-21)10-20(2)9-14-4-3-6-18-8-14/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyZZTINMOVGANZBO-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.44
Rot. Bonds5

About [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (PubChem CID 128997703) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
PubChem CID128997703
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC(CN(C)Cc2cccnc2)C1
InChIInChI=1S/C17H22N4OS/c1-13-16(12-23-19-13)17(22)21-7-5-15(11-21)10-20(2)9-14-4-3-6-18-8-14/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3
InChIKeyZZTINMOVGANZBO-UHFFFAOYSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129400971
(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129401079
2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
CID 127975170
4-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]benzonitrile
CID 129400968
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 129342529
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401008
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
(2S)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-methylsulfanylbutan-1-one
CID 129401051

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The IUPAC name of [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (CID 128997703) is [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The canonical SMILES for [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is Cc1nscc1C(=O)N1CCC(CN(C)Cc2cccnc2)C1.
What is the InChIKey of [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The InChIKey is ZZTINMOVGANZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-13-16(12-23-19-13)17(22)21-7-5-15(11-21)10-20(2)9-14-4-3-6-18-8-14/h3-4,6,8,12,15H,5,7,9-11H2,1-2H3.
What are the key properties of [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone has a molecular weight of 330.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 128997703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).