N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide

C18H22N4O — CID 124887001

IUPACN-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCN1C[C@H](NC(=O)CCc2cnccn2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N4O/c1-22-12-16(14-5-3-2-4-6-14)17(13-22)21-18(23)8-7-15-11-19-9-10-20-15/h2-6,9-11,16-17H,7-8,12-13H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyIWJIQQNJVKVLSK-IRXDYDNUSA-N
MW310.40 g/mol
LogP1.62
Rot. Bonds5

About N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide

N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide (PubChem CID 124887001) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
PubChem CID124887001
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
SMILESCN1C[C@H](NC(=O)CCc2cnccn2)[C@H](c2ccccc2)C1
InChIInChI=1S/C18H22N4O/c1-22-12-16(14-5-3-2-4-6-14)17(13-22)21-18(23)8-7-15-11-19-9-10-20-15/h2-6,9-11,16-17H,7-8,12-13H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyIWJIQQNJVKVLSK-IRXDYDNUSA-N
XLogP1.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(pyridin-2-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895813
(3R)-4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(pyrazin-2-ylmethyl)-1,4-diazepan-2-one
CID 44418114
N-(3,3-bis(4-fluorophenyl)propyl)-3-(pyrazin-2-yl)pyrrolidine-1-carboxamide
CID 46891216
[(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylmethylamino)propanoyl]amino]butyl]boronic acid
CID 145963188
N-[(3S,4R)-4-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 146643591
(2S)-N-[(2S)-1-[(2R)-2-(6-benzylpyrazin-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 145992698
(3R,4S)-N-[(1S)-1-[4-(dimethylamino)phenyl]ethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 155512870
(3R,4S)-N-[[4-(dimethylamino)phenyl]methyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 155537567
(3S,4R)-N-[(1S)-1-[4-(dimethylamino)phenyl]ethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 155554013
2-[4-(dimethylamino)phenyl]-N-[(3S,4R)-4-[6-(1,1,2,2,2-pentafluoroethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 162644729
2-[4-(dimethylamino)phenyl]-N-[(3R,4S)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 162661634
US11306098, Example 28
CID 155185695

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide (CID 124887001) is N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide is CN1C[C@H](NC(=O)CCc2cnccn2)[C@H](c2ccccc2)C1.
What is the InChIKey of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
The InChIKey is IWJIQQNJVKVLSK-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22-12-16(14-5-3-2-4-6-14)17(13-22)21-18(23)8-7-15-11-19-9-10-20-15/h2-6,9-11,16-17H,7-8,12-13H2,1H3,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide?
N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 124887001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).