N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide

C32H29N5O5 — CID 67509550

About N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 67509550) has the molecular formula C32H29N5O5 and a molecular weight of 563.61 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 67509550
• Molecular Formula: C32H29N5O5
• Molecular Weight: 563.61 g/mol
• Exact Mass: 563.22
• IUPAC Name: N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide
• SMILES: COc1ccc(CC(NC(=O)c2cccnc2-n2ccc(-c3cccc4ccccc34)n2)C2(C(N)=O)OCCO2)cc1
• InChI: InChI=1S/C32H29N5O5/c1-40-23-13-11-21(12-14-23)20-28(32(31(33)39)41-18-19-42-32)35-30(38)26-10-5-16-34-29(26)37-17-15-27(36-37)25-9-4-7-22-6-2-3-8-24(22)25/h2-17,28H,18-20H2,1H3,(H2,33,39)(H,35,38)
• InChIKey: LBLADGYGDNPCBR-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 130.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.61
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide (CID 67509550) is N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide is COc1ccc(CC(NC(=O)c2cccnc2-n2ccc(-c3cccc4ccccc34)n2)C2(C(N)=O)OCCO2)cc1.

What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide?

The InChIKey is LBLADGYGDNPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O5/c1-40-23-13-11-21(12-14-23)20-28(32(31(33)39)41-18-19-42-32)35-30(38)26-10-5-16-34-29(26)37-17-15-27(36-37)25-9-4-7-22-6-2-3-8-24(22)25/h2-17,28H,18-20H2,1H3,(H2,33,39)(H,35,38).

What are the key properties of N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide?

N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 563.61 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-carbamoyl-1,3-dioxolan-2-yl)-2-(4-methoxyphenyl)ethyl]-2-(3-naphthalen-1-ylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 67509550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).