1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide

C16H16N4O2S — CID 86266335

IUPAC1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2ccc(-c3ccsc3)n2)c1=O
InChIInChI=1S/C16H16N4O2S/c1-19-7-2-3-13(16(19)22)15(21)17-6-9-20-8-4-14(18-20)12-5-10-23-11-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,21)
InChIKeyULQITRKXRFFWNH-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.74
Rot. Bonds5

About 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 86266335) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID86266335
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2ccc(-c3ccsc3)n2)c1=O
InChIInChI=1S/C16H16N4O2S/c1-19-7-2-3-13(16(19)22)15(21)17-6-9-20-8-4-14(18-20)12-5-10-23-11-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,21)
InChIKeyULQITRKXRFFWNH-UHFFFAOYSA-N
XLogP1.74
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide (CID 86266335) is 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide is Cn1cccc(C(=O)NCCn2ccc(-c3ccsc3)n2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is ULQITRKXRFFWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-19-7-2-3-13(16(19)22)15(21)17-6-9-20-8-4-14(18-20)12-5-10-23-11-12/h2-5,7-8,10-11H,6,9H2,1H3,(H,17,21).
What are the key properties of 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-(3-thiophen-3-ylpyrazol-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 86266335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).