2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride

C16H23ClN6OS — CID 120642849

IUPAC2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride
SMILESCCSc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)ccn1.Cl
InChIInChI=1S/C16H22N6OS.ClH/c1-3-24-13-10-12(6-9-18-13)15(23)20-16-19-14(21-22(16)2)11-4-7-17-8-5-11;/h6,9-11,17H,3-5,7-8H2,1-2H3,(H,19,20,21,23);1H
InChIKeyPVNCFOZHSQEIMN-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.46
Rot. Bonds5

About 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride

2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride (PubChem CID 120642849) has the molecular formula C16H23ClN6OS and a molecular weight of 382.92 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride
PubChem CID120642849
Molecular FormulaC16H23ClN6OS
Molecular Weight382.92 g/mol
Exact Mass382.13
IUPAC Name2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride
SMILESCCSc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)ccn1.Cl
InChIInChI=1S/C16H22N6OS.ClH/c1-3-24-13-10-12(6-9-18-13)15(23)20-16-19-14(21-22(16)2)11-4-7-17-8-5-11;/h6,9-11,17H,3-5,7-8H2,1-2H3,(H,19,20,21,23);1H
InChIKeyPVNCFOZHSQEIMN-UHFFFAOYSA-N
XLogP2.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-cyclobutyloxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide
CID 120643052
3,4-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120642680
4-(ethylsulfanylmethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643371
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-propylbenzamide;hydrochloride
CID 120644118
4-ethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-nitrobenzamide;hydrochloride
CID 120642931
3-chloro-4-fluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643990
3-(methoxymethyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643387
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 120644020
4-acetamido-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644889
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenoxybenzamide;hydrochloride
CID 120641846
3,4,5-trimethoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide
CID 120644463
4-(difluoromethylsulfanyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)benzamide;hydrochloride
CID 120643906

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride?
The IUPAC name of 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride (CID 120642849) is 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride is CCSc1cc(C(=O)Nc2nc(C3CCNCC3)nn2C)ccn1.Cl.
What is the InChIKey of 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride?
The InChIKey is PVNCFOZHSQEIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS.ClH/c1-3-24-13-10-12(6-9-18-13)15(23)20-16-19-14(21-22(16)2)11-4-7-17-8-5-11;/h6,9-11,17H,3-5,7-8H2,1-2H3,(H,19,20,21,23);1H.
What are the key properties of 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride?
2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride has a molecular weight of 382.92 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120642849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).