N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide

C17H21N3OS — CID 128968522

IUPACN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCN1CC[C@@H](CNC(=O)Cc2cccs2)[C@@H]1c1cccnc1
InChIInChI=1S/C17H21N3OS/c1-20-8-6-14(17(20)13-4-2-7-18-11-13)12-19-16(21)10-15-5-3-9-22-15/h2-5,7,9,11,14,17H,6,8,10,12H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyNVSNGZZDGBIMTD-YOEHRIQHSA-N
MW315.44 g/mol
LogP2.49
Rot. Bonds5

About N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 128968522) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID128968522
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCN1CC[C@@H](CNC(=O)Cc2cccs2)[C@@H]1c1cccnc1
InChIInChI=1S/C17H21N3OS/c1-20-8-6-14(17(20)13-4-2-7-18-11-13)12-19-16(21)10-15-5-3-9-22-15/h2-5,7,9,11,14,17H,6,8,10,12H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyNVSNGZZDGBIMTD-YOEHRIQHSA-N
XLogP2.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
CID 128992499
1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128974623
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 129329743
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 128998866
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128989505
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128993502
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129006330
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 128992536
6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 128991830
1-(3-fluoro-4-pyridinyl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128992914
3-ethyl-1-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128968305

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 128968522) is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide is CN1CC[C@@H](CNC(=O)Cc2cccs2)[C@@H]1c1cccnc1.
What is the InChIKey of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is NVSNGZZDGBIMTD-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-20-8-6-14(17(20)13-4-2-7-18-11-13)12-19-16(21)10-15-5-3-9-22-15/h2-5,7,9,11,14,17H,6,8,10,12H2,1H3,(H,19,21)/t14-,17-/m0/s1.
What are the key properties of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 315.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 128968522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).