7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide

C19H18N4O2S — CID 110100772

IUPAC7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1sc2nccnc2c1C1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H18N4O2S/c1-20-17(24)16-14(15-18(26-16)22-9-8-21-15)13-7-10-23(11-13)19(25)12-5-3-2-4-6-12/h2-6,8-9,13H,7,10-11H2,1H3,(H,20,24)
InChIKeyWHTLOGPDUJOYTO-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.68
Rot. Bonds3

About 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide

7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 110100772) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID110100772
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCNC(=O)c1sc2nccnc2c1C1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C19H18N4O2S/c1-20-17(24)16-14(15-18(26-16)22-9-8-21-15)13-7-10-23(11-13)19(25)12-5-3-2-4-6-12/h2-6,8-9,13H,7,10-11H2,1H3,(H,20,24)
InChIKeyWHTLOGPDUJOYTO-UHFFFAOYSA-N
XLogP2.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-7-[(3S)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124975853
N-methyl-7-[(3R)-1-(6-methylpyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 124973136
7-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125019653
N,N-dimethyl-7-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125027316
3-(1-benzoylpyrrolidin-3-yl)-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 127248233
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
7-[1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 110100782
7-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125003638
N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 125006871
7-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyrazine-6-carboxamide
CID 125003637
N-methyl-3-[1-(1-methylindole-3-carbonyl)pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110255948
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 110100772) is 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide is CNC(=O)c1sc2nccnc2c1C1CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is WHTLOGPDUJOYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-20-17(24)16-14(15-18(26-16)22-9-8-21-15)13-7-10-23(11-13)19(25)12-5-3-2-4-6-12/h2-6,8-9,13H,7,10-11H2,1H3,(H,20,24).
What are the key properties of 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzoylpyrrolidin-3-yl)-N-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 110100772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).