4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C18H23N3O2S — CID 172673090

IUPAC4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-13-6-8-21(12-14-4-2-7-19-10-14)18(23)16(13)17(22)20-11-15-5-3-9-24-15/h3,5-6,8-9,14,19H,2,4,7,10-12H2,1H3,(H,20,22)
InChIKeyLUPOGCKVLGLVEJ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.15
Rot. Bonds5

About 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 172673090) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID172673090
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCc1cccs1
InChIInChI=1S/C18H23N3O2S/c1-13-6-8-21(12-14-4-2-7-19-10-14)18(23)16(13)17(22)20-11-15-5-3-9-24-15/h3,5-6,8-9,14,19H,2,4,7,10-12H2,1H3,(H,20,22)
InChIKeyLUPOGCKVLGLVEJ-UHFFFAOYSA-N
XLogP2.15
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 172659458
4-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172673386
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664558
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172658238
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 172913376
N-[2-(2-fluorophenoxy)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172667879
4-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172670374
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172664100
acetic acid;N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172910090
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172668125
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 172912715

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 172673090) is 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)NCc1cccs1.
What is the InChIKey of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is LUPOGCKVLGLVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-6-8-21(12-14-4-2-7-19-10-14)18(23)16(13)17(22)20-11-15-5-3-9-24-15/h3,5-6,8-9,14,19H,2,4,7,10-12H2,1H3,(H,20,22).
What are the key properties of 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-1-(piperidin-3-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172673090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).