1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

C26H37FN4O4 — CID 177358071

About 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide

1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 177358071) has the molecular formula C26H37FN4O4 and a molecular weight of 488.60 g/mol. Its IUPAC name is 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
• PubChem CID: 177358071
• Molecular Formula: C26H37FN4O4
• Molecular Weight: 488.60 g/mol
• Exact Mass: 488.28
• IUPAC Name: 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide
• SMILES: CC.CNCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.Fc1cccc(OC2CC2)c1
• InChI: InChI=1S/C15H22N4O3.C9H9FO.C2H6/c1-10-3-4-13(22-10)15(21)19-11-5-6-17-12(9-11)14(20)18-8-7-16-2;10-7-2-1-3-9(6-7)11-8-4-5-8;1-2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3,(H,18,20)(H,17,19,21);1-3,6,8H,4-5H2;1-2H3
• InChIKey: LFIXSTGVJVOCCV-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 101.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.60
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The IUPAC name of 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide (CID 177358071) is 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide.

What is the SMILES notation for 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The canonical SMILES for 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is CC.CNCCNC(=O)c1cc(NC(=O)C2CCC(C)O2)ccn1.Fc1cccc(OC2CC2)c1.

What is the InChIKey of 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

The InChIKey is LFIXSTGVJVOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.C9H9FO.C2H6/c1-10-3-4-13(22-10)15(21)19-11-5-6-17-12(9-11)14(20)18-8-7-16-2;10-7-2-1-3-9(6-7)11-8-4-5-8;1-2/h5-6,9-10,13,16H,3-4,7-8H2,1-2H3,(H,18,20)(H,17,19,21);1-3,6,8H,4-5H2;1-2H3.

What are the key properties of 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide?

1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyloxy-3-fluorobenzene;ethane;N-[2-(methylamino)ethyl]-4-[(5-methyloxolane-2-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 177358071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).