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

C19H13FN4O2S — CID 24875968

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

3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24875968) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
• PubChem CID: 24875968
• Molecular Formula: C19H13FN4O2S
• Molecular Weight: 380.40 g/mol
• Exact Mass: 380.07
• IUPAC Name: 3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2ccncc2F)nc1
• InChI: InChI=1S/C19H13FN4O2S/c1-11-6-16(15-9-22-10-26-15)27-18(11)12-2-3-17(23-7-12)24-19(25)13-4-5-21-8-14(13)20/h2-10H,1H3,(H,23,24,25)
• InChIKey: IATBPPCRDUULEC-UHFFFAOYSA-N
• XLogP: 4.56
• 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	380.40
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24875968) is 3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.

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

The canonical SMILES for 3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2ccncc2F)nc1.

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

The InChIKey is IATBPPCRDUULEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-11-6-16(15-9-22-10-26-15)27-18(11)12-2-3-17(23-7-12)24-19(25)13-4-5-21-8-14(13)20/h2-10H,1H3,(H,23,24,25).

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

3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24875968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).