4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

C22H30N4O3 — CID 55839720

About 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 55839720) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
• PubChem CID: 55839720
• Molecular Formula: C22H30N4O3
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.23
• IUPAC Name: 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
• SMILES: CCc1c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)[nH]c(C)c1C(C)=O
• InChI: InChI=1S/C22H30N4O3/c1-6-18-20(16(5)27)15(4)25-21(18)22(28)24-10-17-7-8-19(23-9-17)26-11-13(2)29-14(3)12-26/h7-9,13-14,25H,6,10-12H2,1-5H3,(H,24,28)
• InChIKey: DYLQXGTVZPLCKU-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

The IUPAC name of 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide (CID 55839720) is 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

The canonical SMILES for 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)[nH]c(C)c1C(C)=O.

What is the InChIKey of 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

The InChIKey is DYLQXGTVZPLCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-6-18-20(16(5)27)15(4)25-21(18)22(28)24-10-17-7-8-19(23-9-17)26-11-13(2)29-14(3)12-26/h7-9,13-14,25H,6,10-12H2,1-5H3,(H,24,28).

What are the key properties of 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide?

4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-acetyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55839720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).