1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide

C19H25N3O2S — CID 42948266

IUPAC1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2ccn(C)c(=O)c2)c2cccs2)CC1
InChIInChI=1S/C19H25N3O2S/c1-14-5-9-22(10-6-14)16(17-4-3-11-25-17)13-20-19(24)15-7-8-21(2)18(23)12-15/h3-4,7-8,11-12,14,16H,5-6,9-10,13H2,1-2H3,(H,20,24)
InChIKeyIIPNDEQATKQDLG-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.65
Rot. Bonds5

About 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide

1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide (PubChem CID 42948266) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide
PubChem CID42948266
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide
SMILESCC1CCN(C(CNC(=O)c2ccn(C)c(=O)c2)c2cccs2)CC1
InChIInChI=1S/C19H25N3O2S/c1-14-5-9-22(10-6-14)16(17-4-3-11-25-17)13-20-19(24)15-7-8-21(2)18(23)12-15/h3-4,7-8,11-12,14,16H,5-6,9-10,13H2,1-2H3,(H,20,24)
InChIKeyIIPNDEQATKQDLG-UHFFFAOYSA-N
XLogP2.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide (CID 42948266) is 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide is CC1CCN(C(CNC(=O)c2ccn(C)c(=O)c2)c2cccs2)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide?
The InChIKey is IIPNDEQATKQDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-5-9-22(10-6-14)16(17-4-3-11-25-17)13-20-19(24)15-7-8-21(2)18(23)12-15/h3-4,7-8,11-12,14,16H,5-6,9-10,13H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide?
1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 42948266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).