8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone
C79H91N21O6 — CID 158547554
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.CCCCN(C)C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccccc4)nn3c2)C1.COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1
InChIInChI=1S/C23H28N6O2.C19H21N5O2.C19H21N5O.C18H21N5O/c1-3-27(4-2)22(30)17-11-8-12-28(14-17)23(31)18-13-19(24)21-25-20(26-29(21)15-18)16-9-6-5-7-10-16;1-26-12-15-8-5-9-23(15)19(25)14-10-16(20)18-21-17(22-24(18)11-14)13-6-3-2-4-7-13;1-13-7-5-6-10-23(13)19(25)15-11-16(20)18-21-17(22-24(18)12-15)14-8-3-2-4-9-14;1-3-4-10-22(2)18(24)14-11-15(19)17-20-16(21-23(17)12-14)13-8-6-5-7-9-13/h5-7,9-10,13,15,17H,3-4,8,11-12,14,24H2,1-2H3;2-4,6-7,10-11,15H,5,8-9,12,20H2,1H3;2-4,8-9,11-13H,5-7,10,20H2,1H3;5-9,11-12H,3-4,10,19H2,1-2H3/t;15-;;/m.0../s1
InChIKeyHPHQMEYLWYITCY-GRSHENKXSA-N
MW1430.74 g/mol
LogP10.77
Rot. Bonds16
About 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone
8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 158547554) has the molecular formula C79H91N21O6 and a molecular weight of 1430.74 g/mol. Its IUPAC name is 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone.
Molecular Properties
| Compound Name | 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone |
|---|---|
| PubChem CID | 158547554 |
| Molecular Formula | C79H91N21O6 |
| Molecular Weight | 1430.74 g/mol |
| Exact Mass | 1429.75 |
| IUPAC Name | 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone |
| SMILES | CC1CCCCN1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.CCCCN(C)C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccccc4)nn3c2)C1.COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1 |
| InChI | InChI=1S/C23H28N6O2.C19H21N5O2.C19H21N5O.C18H21N5O/c1-3-27(4-2)22(30)17-11-8-12-28(14-17)23(31)18-13-19(24)21-25-20(26-29(21)15-18)16-9-6-5-7-10-16;1-26-12-15-8-5-9-23(15)19(25)14-10-16(20)18-21-17(22-24(18)11-14)13-6-3-2-4-7-13;1-13-7-5-6-10-23(13)19(25)15-11-16(20)18-21-17(22-24(18)12-15)14-8-3-2-4-9-14;1-3-4-10-22(2)18(24)14-11-15(19)17-20-16(21-23(17)12-14)13-8-6-5-7-9-13/h5-7,9-10,13,15,17H,3-4,8,11-12,14,24H2,1-2H3;2-4,6-7,10-11,15H,5,8-9,12,20H2,1H3;2-4,8-9,11-13H,5-7,10,20H2,1H3;5-9,11-12H,3-4,10,19H2,1-2H3/t;15-;;/m.0../s1 |
| InChIKey | HPHQMEYLWYITCY-GRSHENKXSA-N |
| XLogP | 10.77 |
| TPSA | 335.62 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 106 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1430.74 |
| LogP ≤ 5 | 10.77 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 22 |
Frequently Asked Questions
What is the IUPAC name of 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone (CID 158547554) is 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.CCCCN(C)C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccccc4)nn3c2)C1.COC[C@@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.
What is the InChIKey of 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is HPHQMEYLWYITCY-GRSHENKXSA-N. The full InChI is InChI=1S/C23H28N6O2.C19H21N5O2.C19H21N5O.C18H21N5O/c1-3-27(4-2)22(30)17-11-8-12-28(14-17)23(31)18-13-19(24)21-25-20(26-29(21)15-18)16-9-6-5-7-10-16;1-26-12-15-8-5-9-23(15)19(25)14-10-16(20)18-21-17(22-24(18)11-14)13-6-3-2-4-7-13;1-13-7-5-6-10-23(13)19(25)15-11-16(20)18-21-17(22-24(18)12-15)14-8-3-2-4-9-14;1-3-4-10-22(2)18(24)14-11-15(19)17-20-16(21-23(17)12-14)13-8-6-5-7-9-13/h5-7,9-10,13,15,17H,3-4,8,11-12,14,24H2,1-2H3;2-4,6-7,10-11,15H,5,8-9,12,20H2,1H3;2-4,8-9,11-13H,5-7,10,20H2,1H3;5-9,11-12H,3-4,10,19H2,1-2H3/t;15-;;/m.0../s1.
What are the key properties of 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone?
8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 1430.74 g/mol, XLogP of 10.77, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N-butyl-N-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide;1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 158547554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158547554 — identifiers, structure, computed properties (public domain)
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