3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide

C138H152N20O16 — CID 165088811

IUPAC3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESCC1(C)CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1.CC1(C)CC(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1.CC1(C)CC(Oc2nccc3cc(NC(=O)c4ccccn4)ccc23)C(C)(C)O1.CC1(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCCCC1.CC1(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCCCC1.CC1(COc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCCCC1
InChIInChI=1S/C23H26N4O3.C23H26N4O2.3C23H25N3O3.C23H25N3O2/c1-23(2)13-15(8-11-30-23)14-29-22-18-6-5-17(12-16(18)7-10-26-22)27-21(28)20-19(24)4-3-9-25-20;1-23(10-3-2-4-11-23)15-29-22-18-8-7-17(14-16(18)9-13-26-22)27-21(28)20-19(24)6-5-12-25-20;1-22(2)14-19(23(3,4)29-22)28-21-17-9-8-16(13-15(17)10-12-25-21)26-20(27)18-7-5-6-11-24-18;1-23(2)14-16(9-12-29-23)15-28-22-19-7-6-18(13-17(19)8-11-25-22)26-21(27)20-5-3-4-10-24-20;1-23(10-3-2-4-11-23)15-29-22-18-8-7-17(14-16(18)9-13-25-22)26-21(28)20-19(27)6-5-12-24-20;1-23(11-4-2-5-12-23)16-28-22-19-9-8-18(15-17(19)10-14-25-22)26-21(27)20-7-3-6-13-24-20/h3-7,9-10,12,15H,8,11,13-14,24H2,1-2H3,(H,27,28);5-9,12-14H,2-4,10-11,15,24H2,1H3,(H,27,28);5-13,19H,14H2,1-4H3,(H,26,27);3-8,10-11,13,16H,9,12,14-15H2,1-2H3,(H,26,27);5-9,12-14,27H,2-4,10-11,15H2,1H3,(H,26,28);3,6-10,13-15H,2,4-5,11-12,16H2,1H3,(H,26,27)
InChIKeyWIYNHSDIZUZDKU-UHFFFAOYSA-N
MW2346.86 g/mol
LogP28.10
Rot. Bonds29

About 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide

3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 165088811) has the molecular formula C138H152N20O16 and a molecular weight of 2346.86 g/mol. Its IUPAC name is 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID165088811
Molecular FormulaC138H152N20O16
Molecular Weight2346.86 g/mol
Exact Mass2345.17
IUPAC Name3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
SMILESCC1(C)CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1.CC1(C)CC(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1.CC1(C)CC(Oc2nccc3cc(NC(=O)c4ccccn4)ccc23)C(C)(C)O1.CC1(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCCCC1.CC1(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCCCC1.CC1(COc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCCCC1
InChIInChI=1S/C23H26N4O3.C23H26N4O2.3C23H25N3O3.C23H25N3O2/c1-23(2)13-15(8-11-30-23)14-29-22-18-6-5-17(12-16(18)7-10-26-22)27-21(28)20-19(24)4-3-9-25-20;1-23(10-3-2-4-11-23)15-29-22-18-8-7-17(14-16(18)9-13-26-22)27-21(28)20-19(24)6-5-12-25-20;1-22(2)14-19(23(3,4)29-22)28-21-17-9-8-16(13-15(17)10-12-25-21)26-20(27)18-7-5-6-11-24-18;1-23(2)14-16(9-12-29-23)15-28-22-19-7-6-18(13-17(19)8-11-25-22)26-21(27)20-5-3-4-10-24-20;1-23(10-3-2-4-11-23)15-29-22-18-8-7-17(14-16(18)9-13-25-22)26-21(28)20-19(27)6-5-12-24-20;1-23(11-4-2-5-12-23)16-28-22-19-9-8-18(15-17(19)10-14-25-22)26-21(27)20-7-3-6-13-24-20/h3-7,9-10,12,15H,8,11,13-14,24H2,1-2H3,(H,27,28);5-9,12-14H,2-4,10-11,15,24H2,1H3,(H,27,28);5-13,19H,14H2,1-4H3,(H,26,27);3-8,10-11,13,16H,9,12,14-15H2,1-2H3,(H,26,27);5-9,12-14,27H,2-4,10-11,15H2,1H3,(H,26,28);3,6-10,13-15H,2,4-5,11-12,16H2,1H3,(H,26,27)
InChIKeyWIYNHSDIZUZDKU-UHFFFAOYSA-N
XLogP28.10
TPSA484.62 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002346.86
LogP ≤ 528.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Analyze 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide (CID 165088811) is 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide is CC1(C)CC(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1.CC1(C)CC(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1.CC1(C)CC(Oc2nccc3cc(NC(=O)c4ccccn4)ccc23)C(C)(C)O1.CC1(COc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCCCC1.CC1(COc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCCCC1.CC1(COc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCCCC1.
What is the InChIKey of 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is WIYNHSDIZUZDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3.C23H26N4O2.3C23H25N3O3.C23H25N3O2/c1-23(2)13-15(8-11-30-23)14-29-22-18-6-5-17(12-16(18)7-10-26-22)27-21(28)20-19(24)4-3-9-25-20;1-23(10-3-2-4-11-23)15-29-22-18-8-7-17(14-16(18)9-13-26-22)27-21(28)20-19(24)6-5-12-25-20;1-22(2)14-19(23(3,4)29-22)28-21-17-9-8-16(13-15(17)10-12-25-21)26-20(27)18-7-5-6-11-24-18;1-23(2)14-16(9-12-29-23)15-28-22-19-7-6-18(13-17(19)8-11-25-22)26-21(27)20-5-3-4-10-24-20;1-23(10-3-2-4-11-23)15-29-22-18-8-7-17(14-16(18)9-13-25-22)26-21(28)20-19(27)6-5-12-24-20;1-23(11-4-2-5-12-23)16-28-22-19-9-8-18(15-17(19)10-14-25-22)26-21(27)20-7-3-6-13-24-20/h3-7,9-10,12,15H,8,11,13-14,24H2,1-2H3,(H,27,28);5-9,12-14H,2-4,10-11,15,24H2,1H3,(H,27,28);5-13,19H,14H2,1-4H3,(H,26,27);3-8,10-11,13,16H,9,12,14-15H2,1-2H3,(H,26,27);5-9,12-14,27H,2-4,10-11,15H2,1H3,(H,26,28);3,6-10,13-15H,2,4-5,11-12,16H2,1H3,(H,26,27).
What are the key properties of 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide?
3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 2346.86 g/mol, XLogP of 28.10, 29 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165088811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).