5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide

C23H24ClN3O4 — CID 67011762

About 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide

5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide (PubChem CID 67011762) has the molecular formula C23H24ClN3O4 and a molecular weight of 441.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
• PubChem CID: 67011762
• Molecular Formula: C23H24ClN3O4
• Molecular Weight: 441.92 g/mol
• Exact Mass: 441.15
• IUPAC Name: 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide
• SMILES: Cc1cc(COc2ncc(C(=O)NC[C@@](C)(O)C3CC3)cc2-c2ccc(Cl)cc2)on1
• InChI: InChI=1S/C23H24ClN3O4/c1-14-9-19(31-27-14)12-30-22-20(15-3-7-18(24)8-4-15)10-16(11-25-22)21(28)26-13-23(2,29)17-5-6-17/h3-4,7-11,17,29H,5-6,12-13H2,1-2H3,(H,26,28)/t23-/m1/s1
• InChIKey: KXCGEIJVODCCKI-HSZRJFAPSA-N
• XLogP: 4.17
• TPSA: 97.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.92
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide (CID 67011762) is 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide is Cc1cc(COc2ncc(C(=O)NC[C@@](C)(O)C3CC3)cc2-c2ccc(Cl)cc2)on1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?

The InChIKey is KXCGEIJVODCCKI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H24ClN3O4/c1-14-9-19(31-27-14)12-30-22-20(15-3-7-18(24)8-4-15)10-16(11-25-22)21(28)26-13-23(2,29)17-5-6-17/h3-4,7-11,17,29H,5-6,12-13H2,1-2H3,(H,26,28)/t23-/m1/s1.

What are the key properties of 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide?

5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 441.92 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 67011762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).