4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide

C26H28N6O3S — CID 176673124

About 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide

4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide (PubChem CID 176673124) has the molecular formula C26H28N6O3S and a molecular weight of 504.62 g/mol. Its IUPAC name is 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide
• PubChem CID: 176673124
• Molecular Formula: C26H28N6O3S
• Molecular Weight: 504.62 g/mol
• Exact Mass: 504.19
• IUPAC Name: 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide
• SMILES: Cc1ccc(CCc2nc(CC(C)C)c(C(N)=O)c(-c3ccc(C(N)=O)s3)c2-c2nnc(C)o2)nc1
• InChI: InChI=1S/C26H28N6O3S/c1-13(2)11-18-21(25(28)34)23(19-9-10-20(36-19)24(27)33)22(26-32-31-15(4)35-26)17(30-18)8-7-16-6-5-14(3)12-29-16/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H2,27,33)(H2,28,34)
• InChIKey: QYIONSOYJCXQST-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 150.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.62
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide (CID 176673124) is 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide is Cc1ccc(CCc2nc(CC(C)C)c(C(N)=O)c(-c3ccc(C(N)=O)s3)c2-c2nnc(C)o2)nc1.

What is the InChIKey of 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?

The InChIKey is QYIONSOYJCXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3S/c1-13(2)11-18-21(25(28)34)23(19-9-10-20(36-19)24(27)33)22(26-32-31-15(4)35-26)17(30-18)8-7-16-6-5-14(3)12-29-16/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H2,27,33)(H2,28,34).

What are the key properties of 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide?

4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide has a molecular weight of 504.62 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-carbamoylthiophen-2-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-methylpropyl)-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 176673124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).