1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide

C18H17N3O2S — CID 110223746

IUPAC1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCn1cc(C(=O)NC(Cc2cccs2)c2ccccn2)ccc1=O
InChIInChI=1S/C18H17N3O2S/c1-21-12-13(7-8-17(21)22)18(23)20-16(11-14-5-4-10-24-14)15-6-2-3-9-19-15/h2-10,12,16H,11H2,1H3,(H,20,23)
InChIKeyMVJHRFHGGWNZTL-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.56
Rot. Bonds5

About 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide

1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 110223746) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID110223746
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCn1cc(C(=O)NC(Cc2cccs2)c2ccccn2)ccc1=O
InChIInChI=1S/C18H17N3O2S/c1-21-12-13(7-8-17(21)22)18(23)20-16(11-14-5-4-10-24-14)15-6-2-3-9-19-15/h2-10,12,16H,11H2,1H3,(H,20,23)
InChIKeyMVJHRFHGGWNZTL-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 110223746) is 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is Cn1cc(C(=O)NC(Cc2cccs2)c2ccccn2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is MVJHRFHGGWNZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21-12-13(7-8-17(21)22)18(23)20-16(11-14-5-4-10-24-14)15-6-2-3-9-19-15/h2-10,12,16H,11H2,1H3,(H,20,23).
What are the key properties of 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide?
1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(1-pyridin-2-yl-2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 110223746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).