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

C21H26N6OS — CID 110100712

IUPAC3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(C3(C)CCCN(Cc4cnccn4)C3)ccc2c1N
InChIInChI=1S/C21H26N6OS/c1-21(7-4-10-27(13-21)12-14-11-23-8-9-24-14)16-6-5-15-17(22)18(20(28)26(2)3)29-19(15)25-16/h5-6,8-9,11H,4,7,10,12-13,22H2,1-3H3
InChIKeyCZGQNKGKHLAKHX-UHFFFAOYSA-N
MW410.55 g/mol
LogP2.92
Rot. Bonds4

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

3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 110100712) has the molecular formula C21H26N6OS and a molecular weight of 410.55 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID110100712
Molecular FormulaC21H26N6OS
Molecular Weight410.55 g/mol
Exact Mass410.19
IUPAC Name3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1sc2nc(C3(C)CCCN(Cc4cnccn4)C3)ccc2c1N
InChIInChI=1S/C21H26N6OS/c1-21(7-4-10-27(13-21)12-14-11-23-8-9-24-14)16-6-5-15-17(22)18(20(28)26(2)3)29-19(15)25-16/h5-6,8-9,11H,4,7,10,12-13,22H2,1-3H3
InChIKeyCZGQNKGKHLAKHX-UHFFFAOYSA-N
XLogP2.92
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.55
LogP ≤ 52.92
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-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 110100712) is 3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CN(C)C(=O)c1sc2nc(C3(C)CCCN(Cc4cnccn4)C3)ccc2c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CZGQNKGKHLAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6OS/c1-21(7-4-10-27(13-21)12-14-11-23-8-9-24-14)16-6-5-15-17(22)18(20(28)26(2)3)29-19(15)25-16/h5-6,8-9,11H,4,7,10,12-13,22H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 410.55 g/mol, XLogP of 2.92, 4 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-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 110100712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).