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

C16H22N4OS — CID 110100777

IUPACN,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)N1CCC(c2c(C(=O)N(C)C)sc3nccnc23)C1
InChIInChI=1S/C16H22N4OS/c1-10(2)20-8-5-11(9-20)12-13-15(18-7-6-17-13)22-14(12)16(21)19(3)4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyLNUMHVVHBQLWKZ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.59
Rot. Bonds3

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

N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 110100777) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID110100777
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESCC(C)N1CCC(c2c(C(=O)N(C)C)sc3nccnc23)C1
InChIInChI=1S/C16H22N4OS/c1-10(2)20-8-5-11(9-20)12-13-15(18-7-6-17-13)22-14(12)16(21)19(3)4/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyLNUMHVVHBQLWKZ-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.59
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-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide (CID 110100777) is N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide is CC(C)N1CCC(c2c(C(=O)N(C)C)sc3nccnc23)C1.
What is the InChIKey of N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is LNUMHVVHBQLWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10(2)20-8-5-11(9-20)12-13-15(18-7-6-17-13)22-14(12)16(21)19(3)4/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide?
N,N-dimethyl-7-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.59, 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-(1-propan-2-ylpyrrolidin-3-yl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 110100777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).