N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide

C32H32N6O5 — CID 141244841

About N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 141244841) has the molecular formula C32H32N6O5 and a molecular weight of 580.65 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
• PubChem CID: 141244841
• Molecular Formula: C32H32N6O5
• Molecular Weight: 580.65 g/mol
• Exact Mass: 580.24
• IUPAC Name: N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
• SMILES: NC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2ccc(-c3cccc(CN4CCOCC4)c3)n2)OC=CO1
• InChI: InChI=1S/C32H32N6O5/c33-31(40)32(42-18-19-43-32)28(21-23-6-2-1-3-7-23)35-30(39)26-10-5-12-34-29(26)38-13-11-27(36-38)25-9-4-8-24(20-25)22-37-14-16-41-17-15-37/h1-13,18-20,28H,14-17,21-22H2,(H2,33,40)(H,35,39)
• InChIKey: VFQQBCCDCZMCOK-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 133.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.65
LogP ≤ 5	2.81
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)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide (CID 141244841) is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide is NC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2ccc(-c3cccc(CN4CCOCC4)c3)n2)OC=CO1.

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

The InChIKey is VFQQBCCDCZMCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O5/c33-31(40)32(42-18-19-43-32)28(21-23-6-2-1-3-7-23)35-30(39)26-10-5-12-34-29(26)38-13-11-27(36-38)25-9-4-8-24(20-25)22-37-14-16-41-17-15-37/h1-13,18-20,28H,14-17,21-22H2,(H2,33,40)(H,35,39).

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

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 580.65 g/mol, XLogP of 2.81, 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)-2-phenylethyl]-2-[3-[3-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 141244841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).