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

C19H29N3O2 — CID 128992499

IUPACN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
SMILESCN1CC[C@@H](CNC(=O)CCC2CCCCO2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H29N3O2/c1-22-11-9-16(19(22)15-5-4-10-20-13-15)14-21-18(23)8-7-17-6-2-3-12-24-17/h4-5,10,13,16-17,19H,2-3,6-9,11-12,14H2,1H3,(H,21,23)/t16-,17?,19-/m0/s1
InChIKeyIMGFKRMVWKTDHY-VBIIVCKISA-N
MW331.46 g/mol
LogP2.54
Rot. Bonds6

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

N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide (PubChem CID 128992499) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
PubChem CID128992499
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide
SMILESCN1CC[C@@H](CNC(=O)CCC2CCCCO2)[C@@H]1c1cccnc1
InChIInChI=1S/C19H29N3O2/c1-22-11-9-16(19(22)15-5-4-10-20-13-15)14-21-18(23)8-7-17-6-2-3-12-24-17/h4-5,10,13,16-17,19H,2-3,6-9,11-12,14H2,1H3,(H,21,23)/t16-,17?,19-/m0/s1
InChIKeyIMGFKRMVWKTDHY-VBIIVCKISA-N
XLogP2.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.54
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]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 129329743
1-methyl-1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-[2-[(2R)-oxolan-2-yl]ethyl]urea
CID 129332704
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
CID 129006575
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 128968522
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]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 129006334
6-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 128991830
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129006330
1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128974623
1-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(2-pyrrol-1-ylethyl)urea
CID 128998866
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128993502

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide (CID 128992499) is N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide is CN1CC[C@@H](CNC(=O)CCC2CCCCO2)[C@@H]1c1cccnc1.
What is the InChIKey of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide?
The InChIKey is IMGFKRMVWKTDHY-VBIIVCKISA-N. The full InChI is InChI=1S/C19H29N3O2/c1-22-11-9-16(19(22)15-5-4-10-20-13-15)14-21-18(23)8-7-17-6-2-3-12-24-17/h4-5,10,13,16-17,19H,2-3,6-9,11-12,14H2,1H3,(H,21,23)/t16-,17?,19-/m0/s1.
What are the key properties of N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide?
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-(oxan-2-yl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 2.54, 6 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]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 128992499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).