3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide

C22H20N6OS — CID 24685370

IUPAC3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C22H20N6OS/c29-21(26-15-8-9-18(25-14-15)28-12-4-1-5-13-28)19-20(24-11-10-23-19)22-27-16-6-2-3-7-17(16)30-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,26,29)
InChIKeyYEBWXMNGEPVDIS-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.39
Rot. Bonds4

About 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide

3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide (PubChem CID 24685370) has the molecular formula C22H20N6OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide
PubChem CID24685370
Molecular FormulaC22H20N6OS
Molecular Weight416.51 g/mol
Exact Mass416.14
IUPAC Name3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)nc1)c1nccnc1-c1nc2ccccc2s1
InChIInChI=1S/C22H20N6OS/c29-21(26-15-8-9-18(25-14-15)28-12-4-1-5-13-28)19-20(24-11-10-23-19)22-27-16-6-2-3-7-17(16)30-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,26,29)
InChIKeyYEBWXMNGEPVDIS-UHFFFAOYSA-N
XLogP4.39
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-benzothiazol-2-yl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyrazine-2-carboxamide
CID 24516202
3-(1,3-benzothiazol-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]pyrazine-2-carboxamide
CID 24676182
5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide
CID 55501236
3-(1,3-benzothiazol-2-yl)-N-[4-(diethylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 24560597
N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
4-hydroxy-1-phenyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 126777508
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
2-amino-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 62794614
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide (CID 24685370) is 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)nc1)c1nccnc1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide?
The InChIKey is YEBWXMNGEPVDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6OS/c29-21(26-15-8-9-18(25-14-15)28-12-4-1-5-13-28)19-20(24-11-10-23-19)22-27-16-6-2-3-7-17(16)30-22/h2-3,6-11,14H,1,4-5,12-13H2,(H,26,29).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide?
3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-N-(6-piperidin-1-yl-3-pyridinyl)pyrazine-2-carboxamide is sourced from PubChem (CID 24685370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).