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

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).