3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one

C23H25N5O4 — CID 170574686

About 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one

3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170574686) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
• PubChem CID: 170574686
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
• SMILES: CN1CCC(O)C1=O.NC(=O)c1nc(-c2cccc(-c3ccon3)c2)cc(C2CC2)c1N
• InChI: InChI=1S/C18H16N4O2.C5H9NO2/c19-16-13(10-4-5-10)9-15(21-17(16)18(20)23)12-3-1-2-11(8-12)14-6-7-24-22-14;1-6-3-2-4(7)5(6)8/h1-3,6-10H,4-5,19H2,(H2,20,23);4,7H,2-3H2,1H3
• InChIKey: LBBUQMLIORRAPC-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 148.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?

The IUPAC name of 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one (CID 170574686) is 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one.

What is the SMILES notation for 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?

The canonical SMILES for 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)C1=O.NC(=O)c1nc(-c2cccc(-c3ccon3)c2)cc(C2CC2)c1N.

What is the InChIKey of 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?

The InChIKey is LBBUQMLIORRAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C5H9NO2/c19-16-13(10-4-5-10)9-15(21-17(16)18(20)23)12-3-1-2-11(8-12)14-6-7-24-22-14;1-6-3-2-4(7)5(6)8/h1-3,6-10H,4-5,19H2,(H2,20,23);4,7H,2-3H2,1H3.

What are the key properties of 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one?

3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 435.48 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170574686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).