2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide
C66H96BrN17O7 — CID 158469120
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C)cc(Br)n1.CCc1cc(C(=O)N(C)C)cc(NC)n1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(C(=O)N(C)C)cc(C(C)C)n1.CNc1cc(C(=O)N(C)C)cc(OC)n1
InChIInChI=1S/2C12H19N3O.C11H13N3O.C11H17N3O.C10H13BrN2O.C10H15N3O2/c1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-8(2)10-6-9(12(16)15(4)5)7-11(13-3)14-10;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-5-9-6-8(11(15)14(3)4)7-10(12-2)13-9;1-4-8-5-7(6-9(11)12-8)10(14)13(2)3;1-11-8-5-7(10(14)13(2)3)6-9(12-8)15-4/h8-9,13H,3-7H2,1-2H3;6-8H,1-5H3,(H,13,14);4-6H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,12,13);5-6H,4H2,1-3H3;5-6H,1-4H3,(H,11,12)
InChIKeyHGCZMTHPHOHWEK-UHFFFAOYSA-N
MW1319.51 g/mol
LogP10.46
Rot. Bonds16
About 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide
2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 158469120) has the molecular formula C66H96BrN17O7 and a molecular weight of 1319.51 g/mol. Its IUPAC name is 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide.
Molecular Properties
| Compound Name | 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 158469120 |
| Molecular Formula | C66H96BrN17O7 |
| Molecular Weight | 1319.51 g/mol |
| Exact Mass | 1317.69 |
| IUPAC Name | 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide |
| SMILES | CCc1cc(C(=O)N(C)C)cc(Br)n1.CCc1cc(C(=O)N(C)C)cc(NC)n1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(C(=O)N(C)C)cc(C(C)C)n1.CNc1cc(C(=O)N(C)C)cc(OC)n1 |
| InChI | InChI=1S/2C12H19N3O.C11H13N3O.C11H17N3O.C10H13BrN2O.C10H15N3O2/c1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-8(2)10-6-9(12(16)15(4)5)7-11(13-3)14-10;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-5-9-6-8(11(15)14(3)4)7-10(12-2)13-9;1-4-8-5-7(6-9(11)12-8)10(14)13(2)3;1-11-8-5-7(10(14)13(2)3)6-9(12-8)15-4/h8-9,13H,3-7H2,1-2H3;6-8H,1-5H3,(H,13,14);4-6H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,12,13);5-6H,4H2,1-3H3;5-6H,1-4H3,(H,11,12) |
| InChIKey | HGCZMTHPHOHWEK-UHFFFAOYSA-N |
| XLogP | 10.46 |
| TPSA | 266.34 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 91 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1319.51 |
| LogP ≤ 5 | 10.46 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 19 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide (CID 158469120) is 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide is CCc1cc(C(=O)N(C)C)cc(Br)n1.CCc1cc(C(=O)N(C)C)cc(NC)n1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(C(=O)N(C)C)cc(C(C)C)n1.CNc1cc(C(=O)N(C)C)cc(OC)n1.
What is the InChIKey of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is HGCZMTHPHOHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19N3O.C11H13N3O.C11H17N3O.C10H13BrN2O.C10H15N3O2/c1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-8(2)10-6-9(12(16)15(4)5)7-11(13-3)14-10;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-5-9-6-8(11(15)14(3)4)7-10(12-2)13-9;1-4-8-5-7(6-9(11)12-8)10(14)13(2)3;1-11-8-5-7(10(14)13(2)3)6-9(12-8)15-4/h8-9,13H,3-7H2,1-2H3;6-8H,1-5H3,(H,13,14);4-6H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,12,13);5-6H,4H2,1-3H3;5-6H,1-4H3,(H,11,12).
What are the key properties of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 1319.51 g/mol, XLogP of 10.46, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 158469120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158469120 — identifiers, structure, computed properties (public domain)
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