ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol

C21H28FN3O4 — CID 143636167

About ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol

ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol (PubChem CID 143636167) has the molecular formula C21H28FN3O4 and a molecular weight of 405.47 g/mol. Its IUPAC name is ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol.

Molecular Properties

• Compound Name: ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
• PubChem CID: 143636167
• Molecular Formula: C21H28FN3O4
• Molecular Weight: 405.47 g/mol
• Exact Mass: 405.21
• IUPAC Name: ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol
• SMILES: CC.CC(C)(O)CO.Cc1ccc(Nc2c(C(N)=O)oc3ccncc23)c(F)c1
• InChI: InChI=1S/C15H12FN3O2.C4H10O2.C2H6/c1-8-2-3-11(10(16)6-8)19-13-9-7-18-5-4-12(9)21-14(13)15(17)20;1-4(2,6)3-5;1-2/h2-7,19H,1H3,(H2,17,20);5-6H,3H2,1-2H3;1-2H3
• InChIKey: AKXGJYSKULUZOJ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 121.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.47
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol?

The IUPAC name of ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol (CID 143636167) is ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol.

What is the SMILES notation for ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol?

The canonical SMILES for ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol is CC.CC(C)(O)CO.Cc1ccc(Nc2c(C(N)=O)oc3ccncc23)c(F)c1.

What is the InChIKey of ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol?

The InChIKey is AKXGJYSKULUZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2.C4H10O2.C2H6/c1-8-2-3-11(10(16)6-8)19-13-9-7-18-5-4-12(9)21-14(13)15(17)20;1-4(2,6)3-5;1-2/h2-7,19H,1H3,(H2,17,20);5-6H,3H2,1-2H3;1-2H3.

What are the key properties of ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol?

ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol has a molecular weight of 405.47 g/mol, XLogP of 3.89, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;2-methylpropane-1,2-diol is sourced from PubChem (CID 143636167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).