(2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide

C28H31N7O3 — CID 170633679

About (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide

(2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide (PubChem CID 170633679) has the molecular formula C28H31N7O3 and a molecular weight of 513.60 g/mol. Its IUPAC name is (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide
• PubChem CID: 170633679
• Molecular Formula: C28H31N7O3
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.25
• IUPAC Name: (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide
• SMILES: Cc1ncc(NC(=O)CN2CCCC2C)cc1NC(=O)/C(=N/N)c1ccc(-c2ccc(CC=O)cc2)cn1
• InChI: InChI=1S/C28H31N7O3/c1-18-4-3-12-35(18)17-26(37)32-23-14-25(19(2)30-16-23)33-28(38)27(34-29)24-10-9-22(15-31-24)21-7-5-20(6-8-21)11-13-36/h5-10,13-16,18H,3-4,11-12,17,29H2,1-2H3,(H,32,37)(H,33,38)/b34-27+
• InChIKey: ZTFHGZMZGUZTBK-DNGXXSEMSA-N
• XLogP: 2.92
• TPSA: 142.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide?

The IUPAC name of (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide (CID 170633679) is (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide.

What is the SMILES notation for (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide?

The canonical SMILES for (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide is Cc1ncc(NC(=O)CN2CCCC2C)cc1NC(=O)/C(=N/N)c1ccc(-c2ccc(CC=O)cc2)cn1.

What is the InChIKey of (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide?

The InChIKey is ZTFHGZMZGUZTBK-DNGXXSEMSA-N. The full InChI is InChI=1S/C28H31N7O3/c1-18-4-3-12-35(18)17-26(37)32-23-14-25(19(2)30-16-23)33-28(38)27(34-29)24-10-9-22(15-31-24)21-7-5-20(6-8-21)11-13-36/h5-10,13-16,18H,3-4,11-12,17,29H2,1-2H3,(H,32,37)(H,33,38)/b34-27+.

What are the key properties of (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide?

(2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide has a molecular weight of 513.60 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 170633679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).