About 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide
5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide (PubChem CID 135205823) has the molecular formula C25H25ClN8O4
and a molecular weight of 536.98 g/mol. Its IUPAC name is 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide |
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| PubChem CID | 135205823 |
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| Molecular Formula | C25H25ClN8O4 |
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| Molecular Weight | 536.98 g/mol |
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| Exact Mass | 536.17 |
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| IUPAC Name | 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide |
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| SMILES | CCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O |
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| InChI | InChI=1S/C25H25ClN8O4/c1-4-5-21(25(37)30-16-7-8-19(28-12-16)24(36)27-2)33-13-22(38-3)18(11-23(33)35)17-10-15(26)6-9-20(17)34-14-29-31-32-34/h6-14,21H,4-5H2,1-3H3,(H,27,36)(H,30,37) |
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| InChIKey | NZYSNSQHJHYDEI-UHFFFAOYSA-N |
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| XLogP | 2.89 |
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| TPSA | 145.92 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 10 |
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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 | 536.98 |
| LogP ≤ 5 | 2.89 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide (CID 135205823) is 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide is CCCC(C(=O)Nc1ccc(C(=O)NC)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-n2cnnn2)cc1=O.
What is the InChIKey of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
The InChIKey is NZYSNSQHJHYDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN8O4/c1-4-5-21(25(37)30-16-7-8-19(28-12-16)24(36)27-2)33-13-22(38-3)18(11-23(33)35)17-10-15(26)6-9-20(17)34-14-29-31-32-34/h6-14,21H,4-5H2,1-3H3,(H,27,36)(H,30,37).
What are the key properties of 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide?
5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide has a molecular weight of 536.98 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).