1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide

C17H18N4O2S — CID 121169591

IUPAC1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H18N4O2S/c1-12-11-14(15-6-4-10-24-15)19-21(12)9-7-18-16(22)13-5-3-8-20(2)17(13)23/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,22)
InChIKeyILAUQRZPCDGXGE-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.05
Rot. Bonds5

About 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide

1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 121169591) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID121169591
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(-c2cccs2)nn1CCNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H18N4O2S/c1-12-11-14(15-6-4-10-24-15)19-21(12)9-7-18-16(22)13-5-3-8-20(2)17(13)23/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,22)
InChIKeyILAUQRZPCDGXGE-UHFFFAOYSA-N
XLogP2.05
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 121169574
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 121169579
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121169831
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169761
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethoxy)benzamide
CID 121169854
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 121169877
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121169618
2-(2-methoxyphenoxy)-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 121169703
1,3-dimethyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822812
7-methoxy-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121169592

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide (CID 121169591) is 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide is Cc1cc(-c2cccs2)nn1CCNC(=O)c1cccn(C)c1=O.
What is the InChIKey of 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ILAUQRZPCDGXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12-11-14(15-6-4-10-24-15)19-21(12)9-7-18-16(22)13-5-3-8-20(2)17(13)23/h3-6,8,10-11H,7,9H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide?
1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 121169591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).