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 |
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| PubChem CID | 170633679 |
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| Molecular Formula | C28H31N7O3 |
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| Molecular Weight | 513.60 g/mol |
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| Exact Mass | 513.25 |
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| 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 |
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| SMILES | Cc1ncc(NC(=O)CN2CCCC2C)cc1NC(=O)/C(=N/N)c1ccc(-c2ccc(CC=O)cc2)cn1 |
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| 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+ |
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| InChIKey | ZTFHGZMZGUZTBK-DNGXXSEMSA-N |
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| XLogP | 2.92 |
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| TPSA | 142.67 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| 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'} |
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Analyze (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 with MolForge
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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).