3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

C20H24N6OS — CID 110100727

IUPAC3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(C3(C)CCN(c4cnccn4)CC3)ccc2c1N
InChIInChI=1S/C20H24N6OS/c1-20(6-10-26(11-7-20)15-12-22-8-9-23-15)14-5-4-13-16(21)17(19(27)25(2)3)28-18(13)24-14/h4-5,8-9,12H,6-7,10-11,21H2,1-3H3
InChIKeyUEHXUJCSFKSNTK-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.93
Rot. Bonds3

About 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110100727) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110100727
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(C3(C)CCN(c4cnccn4)CC3)ccc2c1N
InChIInChI=1S/C20H24N6OS/c1-20(6-10-26(11-7-20)15-12-22-8-9-23-15)14-5-4-13-16(21)17(19(27)25(2)3)28-18(13)24-14/h4-5,8-9,12H,6-7,10-11,21H2,1-3H3
InChIKeyUEHXUJCSFKSNTK-UHFFFAOYSA-N
XLogP2.93
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 110100727) is 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2nc(C3(C)CCN(c4cnccn4)CC3)ccc2c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is UEHXUJCSFKSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-20(6-10-26(11-7-20)15-12-22-8-9-23-15)14-5-4-13-16(21)17(19(27)25(2)3)28-18(13)24-14/h4-5,8-9,12H,6-7,10-11,21H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110100727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).