2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide

C20H26N4O — CID 128967466

IUPAC2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C(N)=O)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-23-12-10-17(18(23)16-9-6-11-22-13-16)14-24(2)19(20(21)25)15-7-4-3-5-8-15/h3-9,11,13,17-19H,10,12,14H2,1-2H3,(H2,21,25)/t17-,18-,19?/m0/s1
InChIKeyCDWUOVFZEIPEBY-ADUPEVMXSA-N
MW338.45 g/mol
LogP2.23
Rot. Bonds6

About 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide

2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide (PubChem CID 128967466) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide
PubChem CID128967466
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C(N)=O)c1ccccc1
InChIInChI=1S/C20H26N4O/c1-23-12-10-17(18(23)16-9-6-11-22-13-16)14-24(2)19(20(21)25)15-7-4-3-5-8-15/h3-9,11,13,17-19H,10,12,14H2,1-2H3,(H2,21,25)/t17-,18-,19?/m0/s1
InChIKeyCDWUOVFZEIPEBY-ADUPEVMXSA-N
XLogP2.23
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 129007294
2-(4-fluorophenyl)-2-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]acetamide
CID 128993715
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 128995545
1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(1-methylsulfanylpropan-2-yl)urea
CID 129006470
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine
CID 128969041
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129335114
N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128970240
(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]ethanamine
CID 129342366
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
CID 128997530
3-(2-imidazol-1-ylethyl)-1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128970799

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide?
The IUPAC name of 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide (CID 128967466) is 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide is CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(C(N)=O)c1ccccc1.
What is the InChIKey of 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide?
The InChIKey is CDWUOVFZEIPEBY-ADUPEVMXSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-12-10-17(18(23)16-9-6-11-22-13-16)14-24(2)19(20(21)25)15-7-4-3-5-8-15/h3-9,11,13,17-19H,10,12,14H2,1-2H3,(H2,21,25)/t17-,18-,19?/m0/s1.
What are the key properties of 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide?
2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide has a molecular weight of 338.45 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 128967466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).