N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide

C28H32N6O5 — CID 141244760

About N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 141244760) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 141244760
• Molecular Formula: C28H32N6O5
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.24
• IUPAC Name: N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: CCCCC(NC(=O)c1cccnc1-n1ccc(-c2cccc(N3CCOCC3)c2)n1)C1(C(N)=O)OC=CO1
• InChI: InChI=1S/C28H32N6O5/c1-2-3-9-24(28(27(29)36)38-17-18-39-28)31-26(35)22-8-5-11-30-25(22)34-12-10-23(32-34)20-6-4-7-21(19-20)33-13-15-37-16-14-33/h4-8,10-12,17-19,24H,2-3,9,13-16H2,1H3,(H2,29,36)(H,31,35)
• InChIKey: ZWYASCOXYJBROH-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 133.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 141244760) is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide is CCCCC(NC(=O)c1cccnc1-n1ccc(-c2cccc(N3CCOCC3)c2)n1)C1(C(N)=O)OC=CO1.

What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide?

The InChIKey is ZWYASCOXYJBROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5/c1-2-3-9-24(28(27(29)36)38-17-18-39-28)31-26(35)22-8-5-11-30-25(22)34-12-10-23(32-34)20-6-4-7-21(19-20)33-13-15-37-16-14-33/h4-8,10-12,17-19,24H,2-3,9,13-16H2,1H3,(H2,29,36)(H,31,35).

What are the key properties of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide?

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 532.60 g/mol, XLogP of 2.76, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)pentyl]-2-[3-(3-morpholin-4-ylphenyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 141244760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).