N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

C16H20N4O2S — CID 125006871

IUPACN,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCCC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3nccnc23)C1
InChIInChI=1S/C16H20N4O2S/c1-4-11(21)20-8-5-10(9-20)12-13-15(18-7-6-17-13)23-14(12)16(22)19(2)3/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1
InChIKeyUJHJYXOHRUMWNQ-SNVBAGLBSA-N
MW332.43 g/mol
LogP2.12
Rot. Bonds3

About N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide

N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 125006871) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID125006871
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide
SMILESCCC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3nccnc23)C1
InChIInChI=1S/C16H20N4O2S/c1-4-11(21)20-8-5-10(9-20)12-13-15(18-7-6-17-13)23-14(12)16(22)19(2)3/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1
InChIKeyUJHJYXOHRUMWNQ-SNVBAGLBSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide (CID 125006871) is N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is CCC(=O)N1CC[C@@H](c2c(C(=O)N(C)C)sc3nccnc23)C1.
What is the InChIKey of N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is UJHJYXOHRUMWNQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-11(21)20-8-5-10(9-20)12-13-15(18-7-6-17-13)23-14(12)16(22)19(2)3/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide?
N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-[(3S)-1-propanoylpyrrolidin-3-yl]thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 125006871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).