N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide

C19H23N5O2 — CID 125445185

IUPACN-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3cncc(N(C)C)n3)c2)C1
InChIInChI=1S/C19H23N5O2/c1-13(25)21-16-7-8-24(12-16)19(26)15-6-4-5-14(9-15)17-10-20-11-18(22-17)23(2)3/h4-6,9-11,16H,7-8,12H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyPQXZIKFORUOZCH-MRXNPFEDSA-N
MW353.43 g/mol
LogP1.56
Rot. Bonds4

About N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide

N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide (PubChem CID 125445185) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
PubChem CID125445185
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3cncc(N(C)C)n3)c2)C1
InChIInChI=1S/C19H23N5O2/c1-13(25)21-16-7-8-24(12-16)19(26)15-6-4-5-14(9-15)17-10-20-11-18(22-17)23(2)3/h4-6,9-11,16H,7-8,12H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyPQXZIKFORUOZCH-MRXNPFEDSA-N
XLogP1.56
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2-methyl-4-pyridinyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 118773574
N-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051606
N-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]acetamide
CID 95051605
[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125435955
methyl 4-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-1H-pyrrole-2-carboxylate
CID 126425036
N-[(3R)-1-[3-(2,4-dimethoxyphenyl)benzoyl]pyrrolidin-3-yl]acetamide
CID 125164313
5-[3-[(3S)-3-acetamidopyrrolidine-1-carbonyl]phenyl]-N-methylfuran-2-carboxamide
CID 126452342
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-(3-pyrazin-2-ylphenyl)methanone
CID 125179666
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
[3-[6-(dimethylamino)pyrimidin-4-yl]phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 119063208
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide (CID 125445185) is N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CCN(C(=O)c2cccc(-c3cncc(N(C)C)n3)c2)C1.
What is the InChIKey of N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
The InChIKey is PQXZIKFORUOZCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(25)21-16-7-8-24(12-16)19(26)15-6-4-5-14(9-15)17-10-20-11-18(22-17)23(2)3/h4-6,9-11,16H,7-8,12H2,1-3H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide?
N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[3-[6-(dimethylamino)pyrazin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 125445185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).