N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide

C25H21N5O4 — CID 141244857

About N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide (PubChem CID 141244857) has the molecular formula C25H21N5O4 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide
• PubChem CID: 141244857
• Molecular Formula: C25H21N5O4
• Molecular Weight: 455.47 g/mol
• Exact Mass: 455.16
• IUPAC Name: N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide
• SMILES: NC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3ccccc3n2)OC=CO1
• InChI: InChI=1S/C25H21N5O4/c26-24(32)25(33-13-14-34-25)21(15-17-7-2-1-3-8-17)28-23(31)19-10-6-12-27-22(19)30-16-18-9-4-5-11-20(18)29-30/h1-14,16,21H,15H2,(H2,26,32)(H,28,31)
• InChIKey: TULCXTRXYVKLSY-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 121.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.47
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?

The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide (CID 141244857) is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide.

What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?

The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide is NC(=O)C1(C(Cc2ccccc2)NC(=O)c2cccnc2-n2cc3ccccc3n2)OC=CO1.

What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?

The InChIKey is TULCXTRXYVKLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4/c26-24(32)25(33-13-14-34-25)21(15-17-7-2-1-3-8-17)28-23(31)19-10-6-12-27-22(19)30-16-18-9-4-5-11-20(18)29-30/h1-14,16,21H,15H2,(H2,26,32)(H,28,31).

What are the key properties of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide?

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-indazol-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 141244857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).