3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide

C20H16N4O2S — CID 25177362

About 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide

3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 25177362) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
• PubChem CID: 25177362
• Molecular Formula: C20H16N4O2S
• Molecular Weight: 376.44 g/mol
• Exact Mass: 376.10
• IUPAC Name: 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
• SMILES: Cc1cnccc1C(=O)Nc1ccc(-c2cc(-c3cnco3)sc2C)cn1
• InChI: InChI=1S/C20H16N4O2S/c1-12-8-21-6-5-15(12)20(25)24-19-4-3-14(9-23-19)16-7-18(27-13(16)2)17-10-22-11-26-17/h3-11H,1-2H3,(H,23,24,25)
• InChIKey: ULBPGZUBSBLOBB-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 80.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.44
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?

The IUPAC name of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 25177362) is 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide.

What is the SMILES notation for 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?

The canonical SMILES for 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cnccc1C(=O)Nc1ccc(-c2cc(-c3cnco3)sc2C)cn1.

What is the InChIKey of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?

The InChIKey is ULBPGZUBSBLOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-12-8-21-6-5-15(12)20(25)24-19-4-3-14(9-23-19)16-7-18(27-13(16)2)17-10-22-11-26-17/h3-11H,1-2H3,(H,23,24,25).

What are the key properties of 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide?

3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 25177362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).