2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide

C24H28ClN5O4 — CID 175240903

About 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide

2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 175240903) has the molecular formula C24H28ClN5O4 and a molecular weight of 485.97 g/mol. Its IUPAC name is 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 175240903
• Molecular Formula: C24H28ClN5O4
• Molecular Weight: 485.97 g/mol
• Exact Mass: 485.18
• IUPAC Name: 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide
• SMILES: CC(C)[C@@H](C(N)=O)c1nc(N2CCC(N3C(=O)OCc4ccccc43)CC2)c(Cl)cc1C(N)=O
• InChI: InChI=1S/C24H28ClN5O4/c1-13(2)19(22(27)32)20-16(21(26)31)11-17(25)23(28-20)29-9-7-15(8-10-29)30-18-6-4-3-5-14(18)12-34-24(30)33/h3-6,11,13,15,19H,7-10,12H2,1-2H3,(H2,26,31)(H2,27,32)/t19-/m1/s1
• InChIKey: YAKOPUSYCFTQGJ-LJQANCHMSA-N
• XLogP: 3.18
• TPSA: 131.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.97
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide (CID 175240903) is 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide is CC(C)[C@@H](C(N)=O)c1nc(N2CCC(N3C(=O)OCc4ccccc43)CC2)c(Cl)cc1C(N)=O.

What is the InChIKey of 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide?

The InChIKey is YAKOPUSYCFTQGJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28ClN5O4/c1-13(2)19(22(27)32)20-16(21(26)31)11-17(25)23(28-20)29-9-7-15(8-10-29)30-18-6-4-3-5-14(18)12-34-24(30)33/h3-6,11,13,15,19H,7-10,12H2,1-2H3,(H2,26,31)(H2,27,32)/t19-/m1/s1.

What are the key properties of 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide?

2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175240903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).