2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride

C16H21ClN4OS — CID 120998258

IUPAC2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)c(C)n1.Cl
InChIInChI=1S/C16H20N4OS.ClH/c1-10-3-4-13(11(2)19-10)15(21)20-16-18-9-14(22-16)12-5-7-17-8-6-12;/h3-4,9,12,17H,5-8H2,1-2H3,(H,18,20,21);1H
InChIKeyJSBCAMZDSDMPMR-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.30
Rot. Bonds3

About 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride

2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride (PubChem CID 120998258) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
PubChem CID120998258
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)c(C)n1.Cl
InChIInChI=1S/C16H20N4OS.ClH/c1-10-3-4-13(11(2)19-10)15(21)20-16-18-9-14(22-16)12-5-7-17-8-6-12;/h3-4,9,12,17H,5-8H2,1-2H3,(H,18,20,21);1H
InChIKeyJSBCAMZDSDMPMR-UHFFFAOYSA-N
XLogP3.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride (CID 120998258) is 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride is Cc1ccc(C(=O)Nc2ncc(C3CCNCC3)s2)c(C)n1.Cl.
What is the InChIKey of 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is JSBCAMZDSDMPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS.ClH/c1-10-3-4-13(11(2)19-10)15(21)20-16-18-9-14(22-16)12-5-7-17-8-6-12;/h3-4,9,12,17H,5-8H2,1-2H3,(H,18,20,21);1H.
What are the key properties of 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride?
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 352.89 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120998258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).