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

C19H29N3O2 — CID 129006575

IUPACN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC1CCCCO1
InChIInChI=1S/C19H29N3O2/c1-21-10-8-16(19(21)15-6-5-9-20-13-15)14-22(2)18(23)12-17-7-3-4-11-24-17/h5-6,9,13,16-17,19H,3-4,7-8,10-12,14H2,1-2H3/t16-,17?,19-/m0/s1
InChIKeyHRVMABBYUIQQJB-VBIIVCKISA-N
MW331.46 g/mol
LogP2.49
Rot. Bonds5

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

N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide (PubChem CID 129006575) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
PubChem CID129006575
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
SMILESCN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC1CCCCO1
InChIInChI=1S/C19H29N3O2/c1-21-10-8-16(19(21)15-6-5-9-20-13-15)14-22(2)18(23)12-17-7-3-4-11-24-17/h5-6,9,13,16-17,19H,3-4,7-8,10-12,14H2,1-2H3/t16-,17?,19-/m0/s1
InChIKeyHRVMABBYUIQQJB-VBIIVCKISA-N
XLogP2.49
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 129332704
(2S,4S)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129341245
(2R,4R)-2-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]oxane-4-carboxamide
CID 129341244
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
CID 128992499
N-methyl-3-[(2R,5S)-5-methyloxolan-2-yl]-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]propanamide
CID 129337601
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
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 128997680
4-cyano-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]benzamide
CID 128997530
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 128972313
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 128971727
5-ethyl-N,3-dimethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1,2-oxazole-4-carboxamide
CID 128996808

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide (CID 129006575) is N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide is CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)C(=O)CC1CCCCO1.
What is the InChIKey of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide?
The InChIKey is HRVMABBYUIQQJB-VBIIVCKISA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21-10-8-16(19(21)15-6-5-9-20-13-15)14-22(2)18(23)12-17-7-3-4-11-24-17/h5-6,9,13,16-17,19H,3-4,7-8,10-12,14H2,1-2H3/t16-,17?,19-/m0/s1.
What are the key properties of N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide?
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 129006575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).