6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C23H20N4O3S — CID 126472530

IUPAC6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCc3ccco3)c(NCc3cccnc3)n2)s1
InChIInChI=1S/C23H20N4O3S/c1-15(28)20-8-9-21(31-20)19-7-6-18(23(29)26-14-17-5-3-11-30-17)22(27-19)25-13-16-4-2-10-24-12-16/h2-12H,13-14H2,1H3,(H,25,27)(H,26,29)
InChIKeyZRBUPZIXQMBPIH-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.54
Rot. Bonds8

About 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 126472530) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID126472530
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(-c2ccc(C(=O)NCc3ccco3)c(NCc3cccnc3)n2)s1
InChIInChI=1S/C23H20N4O3S/c1-15(28)20-8-9-21(31-20)19-7-6-18(23(29)26-14-17-5-3-11-30-17)22(27-19)25-13-16-4-2-10-24-12-16/h2-12H,13-14H2,1H3,(H,25,27)(H,26,29)
InChIKeyZRBUPZIXQMBPIH-UHFFFAOYSA-N
XLogP4.54
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 126472530) is 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccco3)c(NCc3cccnc3)n2)s1.
What is the InChIKey of 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is ZRBUPZIXQMBPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-15(28)20-8-9-21(31-20)19-7-6-18(23(29)26-14-17-5-3-11-30-17)22(27-19)25-13-16-4-2-10-24-12-16/h2-12H,13-14H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-acetylthiophen-2-yl)-N-(furan-2-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126472530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).