1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide

C24H37N7O3 — CID 123991255

About 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide

1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide (PubChem CID 123991255) has the molecular formula C24H37N7O3 and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide
• PubChem CID: 123991255
• Molecular Formula: C24H37N7O3
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.30
• IUPAC Name: 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide
• SMILES: [H]/N=C(\C(N)=O)c1cc(C)ncc1NCC(=O)N1CC(CC)CC1C(=O)NN1CCCC(C)(C)C1
• InChI: InChI=1S/C24H37N7O3/c1-5-16-10-19(23(34)29-30-8-6-7-24(3,4)14-30)31(13-16)20(32)12-28-18-11-27-15(2)9-17(18)21(25)22(26)33/h9,11,16,19,25,28H,5-8,10,12-14H2,1-4H3,(H2,26,33)(H,29,34)/b25-21-
• InChIKey: CJKPZHPLHMYJOK-DAFNUICNSA-N
• XLogP: 1.44
• TPSA: 144.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide (CID 123991255) is 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide is [H]/N=C(\C(N)=O)c1cc(C)ncc1NCC(=O)N1CC(CC)CC1C(=O)NN1CCCC(C)(C)C1.

What is the InChIKey of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide?

The InChIKey is CJKPZHPLHMYJOK-DAFNUICNSA-N. The full InChI is InChI=1S/C24H37N7O3/c1-5-16-10-19(23(34)29-30-8-6-7-24(3,4)14-30)31(13-16)20(32)12-28-18-11-27-15(2)9-17(18)21(25)22(26)33/h9,11,16,19,25,28H,5-8,10,12-14H2,1-4H3,(H2,26,33)(H,29,34)/b25-21-.

What are the key properties of 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide?

1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide has a molecular weight of 471.61 g/mol, XLogP of 1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[4-(2-amino-2-oxoethanimidoyl)-6-methyl-3-pyridinyl]amino]acetyl]-N-(3,3-dimethylpiperidin-1-yl)-4-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123991255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).