1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C22H29F2N3O4 — CID 177358249

About 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 177358249) has the molecular formula C22H29F2N3O4 and a molecular weight of 437.49 g/mol. Its IUPAC name is 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
• PubChem CID: 177358249
• Molecular Formula: C22H29F2N3O4
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.21
• IUPAC Name: 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
• SMILES: CC.CC1CCC(C(=O)N(C)c2ccnc(C(N)=O)c2)O1.COc1cccc(F)c1F
• InChI: InChI=1S/C13H17N3O3.C7H6F2O.C2H6/c1-8-3-4-11(19-8)13(18)16(2)9-5-6-15-10(7-9)12(14)17;1-10-6-4-2-3-5(8)7(6)9;1-2/h5-8,11H,3-4H2,1-2H3,(H2,14,17);2-4H,1H3;1-2H3
• InChIKey: YBHNPMHMEFBDCN-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 94.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.49
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The IUPAC name of 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 177358249) is 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

What is the SMILES notation for 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The canonical SMILES for 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC.CC1CCC(C(=O)N(C)c2ccnc(C(N)=O)c2)O1.COc1cccc(F)c1F.

What is the InChIKey of 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The InChIKey is YBHNPMHMEFBDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.C7H6F2O.C2H6/c1-8-3-4-11(19-8)13(18)16(2)9-5-6-15-10(7-9)12(14)17;1-10-6-4-2-3-5(8)7(6)9;1-2/h5-8,11H,3-4H2,1-2H3,(H2,14,17);2-4H,1H3;1-2H3.

What are the key properties of 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-3-methoxybenzene;ethane;4-[methyl-(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 177358249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).