2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride

C17H23Cl2N3OS — CID 120598765

IUPAC2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-11-9-14(5-7-18-11)20-17(21)15-3-4-16(19-12(15)2)13-6-8-22-10-13;;/h3-4,6,8,10-11,14,18H,5,7,9H2,1-2H3,(H,20,21);2*1H
InChIKeyGSEAEUDQEQXLFH-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride

2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 120598765) has the molecular formula C17H23Cl2N3OS and a molecular weight of 388.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID120598765
Molecular FormulaC17H23Cl2N3OS
Molecular Weight388.36 g/mol
Exact Mass387.09
IUPAC Name2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1CCNC(C)C1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-11-9-14(5-7-18-11)20-17(21)15-3-4-16(19-12(15)2)13-6-8-22-10-13;;/h3-4,6,8,10-11,14,18H,5,7,9H2,1-2H3,(H,20,21);2*1H
InChIKeyGSEAEUDQEQXLFH-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678974
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119600903
2-methyl-N-[2-(methylamino)ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 119500262
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide;hydrochloride
CID 120600805
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide
CID 106995263
2-methyl-N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 99122200
2-methyl-N-(2-methylpiperidin-4-yl)quinoline-8-carboxamide;dihydrochloride
CID 120599721
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
CID 120599004
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
2-methyl-6-phenyl-N-piperidin-3-ylpyridine-3-carboxamide;dihydrochloride
CID 119426479

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride (CID 120598765) is 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride is Cc1nc(-c2ccsc2)ccc1C(=O)NC1CCNC(C)C1.Cl.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is GSEAEUDQEQXLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.2ClH/c1-11-9-14(5-7-18-11)20-17(21)15-3-4-16(19-12(15)2)13-6-8-22-10-13;;/h3-4,6,8,10-11,14,18H,5,7,9H2,1-2H3,(H,20,21);2*1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride?
2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 388.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120598765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).