N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C28H34N8O3S — CID 134539685

About N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539685) has the molecular formula C28H34N8O3S and a molecular weight of 562.70 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539685
• Molecular Formula: C28H34N8O3S
• Molecular Weight: 562.70 g/mol
• Exact Mass: 562.25
• IUPAC Name: N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC2C(=O)N(C)O)c1
• InChI: InChI=1S/C28H34N8O3S/c1-5-34(6-2)18(3)16-29-27(37)19-14-22(31-25(15-19)35-11-10-23(35)28(38)33(4)39)20-17-30-36-12-9-21(32-26(20)36)24-8-7-13-40-24/h7-9,12-15,17-18,23,39H,5-6,10-11,16H2,1-4H3,(H,29,37)
• InChIKey: HYPCGHFJHPITSN-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 119.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.70
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The IUPAC name of N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539685) is N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC2C(=O)N(C)O)c1.

What is the InChIKey of N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The InChIKey is HYPCGHFJHPITSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O3S/c1-5-34(6-2)18(3)16-29-27(37)19-14-22(31-25(15-19)35-11-10-23(35)28(38)33(4)39)20-17-30-36-12-9-21(32-26(20)36)24-8-7-13-40-24/h7-9,12-15,17-18,23,39H,5-6,10-11,16H2,1-4H3,(H,29,37).

What are the key properties of N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 562.70 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).