N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

C34H38N6O5 — CID 67238573

About N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 67238573) has the molecular formula C34H38N6O5 and a molecular weight of 610.72 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 67238573
• Molecular Formula: C34H38N6O5
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.29
• IUPAC Name: N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
• SMILES: O=C(NC(Cc1ccc(OCCN2CCOCC2)cc1)C(O)C(=O)NC1CC1)c1cccnc1-n1ccc(-c2ccccc2)n1
• InChI: InChI=1S/C34H38N6O5/c41-31(34(43)36-26-10-11-26)30(23-24-8-12-27(13-9-24)45-22-19-39-17-20-44-21-18-39)37-33(42)28-7-4-15-35-32(28)40-16-14-29(38-40)25-5-2-1-3-6-25/h1-9,12-16,26,30-31,41H,10-11,17-23H2,(H,36,43)(H,37,42)
• InChIKey: PTFUFSFIOCPZHV-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 130.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 67238573) is N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is O=C(NC(Cc1ccc(OCCN2CCOCC2)cc1)C(O)C(=O)NC1CC1)c1cccnc1-n1ccc(-c2ccccc2)n1.

What is the InChIKey of N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

The InChIKey is PTFUFSFIOCPZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N6O5/c41-31(34(43)36-26-10-11-26)30(23-24-8-12-27(13-9-24)45-22-19-39-17-20-44-21-18-39)37-33(42)28-7-4-15-35-32(28)40-16-14-29(38-40)25-5-2-1-3-6-25/h1-9,12-16,26,30-31,41H,10-11,17-23H2,(H,36,43)(H,37,42).

What are the key properties of N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 610.72 g/mol, XLogP of 2.63, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(cyclopropylamino)-3-hydroxy-1-[4-(2-morpholin-4-ylethoxy)phenyl]-4-oxobutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67238573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).