2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide

C18H30N4O2 — CID 72902494

IUPAC2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide
SMILESCCC[C@H]1CN(Cc2nccnc2C)C[C@@H]1NC(=O)C(C)(C)OC
InChIInChI=1S/C18H30N4O2/c1-6-7-14-10-22(11-15-13(2)19-8-9-20-15)12-16(14)21-17(23)18(3,4)24-5/h8-9,14,16H,6-7,10-12H2,1-5H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyJPDFUFWHGWEMQW-HOCLYGCPSA-N
MW334.46 g/mol
LogP1.93
Rot. Bonds7

About 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide

2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide (PubChem CID 72902494) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide
PubChem CID72902494
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide
SMILESCCC[C@H]1CN(Cc2nccnc2C)C[C@@H]1NC(=O)C(C)(C)OC
InChIInChI=1S/C18H30N4O2/c1-6-7-14-10-22(11-15-13(2)19-8-9-20-15)12-16(14)21-17(23)18(3,4)24-5/h8-9,14,16H,6-7,10-12H2,1-5H3,(H,21,23)/t14-,16-/m0/s1
InChIKeyJPDFUFWHGWEMQW-HOCLYGCPSA-N
XLogP1.93
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-1-[(3-methyl-2-pyridinyl)methyl]-4-propylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 72839443
N-[(3R,4S)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 72926770
N-[(3S,4R)-4-cyclopropyl-1-[(3-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]propane-1-sulfonamide
CID 133113180
1-(methoxymethyl)-N-[(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-propylpyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
CID 154899419
N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 86283433
1-(methoxymethyl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 133138149
2-methylsulfanyl-N-[(3S,4R)-4-propyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133130373
N-[(3R,4S)-1-(2-amino-2-methylpropyl)-4-propylpyrrolidin-3-yl]-3-(3-methylpyrazol-1-yl)propanamide
CID 72881237
N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 133122299
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 72885800
2-methylsulfanyl-N-[(3S,4R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 133132494
2-hydroxy-N-[(3R,4S)-4-propyl-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]acetamide
CID 72866461

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide (CID 72902494) is 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide is CCC[C@H]1CN(Cc2nccnc2C)C[C@@H]1NC(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide?
The InChIKey is JPDFUFWHGWEMQW-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-6-7-14-10-22(11-15-13(2)19-8-9-20-15)12-16(14)21-17(23)18(3,4)24-5/h8-9,14,16H,6-7,10-12H2,1-5H3,(H,21,23)/t14-,16-/m0/s1.
What are the key properties of 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide?
2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide has a molecular weight of 334.46 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[(3R,4S)-1-[(3-methylpyrazin-2-yl)methyl]-4-propylpyrrolidin-3-yl]propanamide is sourced from PubChem (CID 72902494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).