N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide

C22H30N4O2 — CID 171600748

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide (PubChem CID 171600748) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
• PubChem CID: 171600748
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide
• SMILES: COc1cccc(C(CNC(=O)N2CC(C)(C)c3nc(C)ccc32)N(C)C)c1
• InChI: InChI=1S/C22H30N4O2/c1-15-10-11-18-20(24-15)22(2,3)14-26(18)21(27)23-13-19(25(4)5)16-8-7-9-17(12-16)28-6/h7-12,19H,13-14H2,1-6H3,(H,23,27)
• InChIKey: JTFTXHRRLUQYEW-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?

The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide (CID 171600748) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide is COc1cccc(C(CNC(=O)N2CC(C)(C)c3nc(C)ccc32)N(C)C)c1.

What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?

The InChIKey is JTFTXHRRLUQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-15-10-11-18-20(24-15)22(2,3)14-26(18)21(27)23-13-19(25(4)5)16-8-7-9-17(12-16)28-6/h7-12,19H,13-14H2,1-6H3,(H,23,27).

What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide?

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,3,5-trimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxamide is sourced from PubChem (CID 171600748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).