3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide

C105H107N17O16 — CID 165003024

IUPAC3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCC1CC(Oc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1.CC1CC(Oc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1.CC1CC(Oc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCO1.CC1COCC1COc1nccc2cc(NC(=O)c3ccccn3)ccc12.CC1COCC1COc1nccc2cc(NC(=O)c3ncccc3N)ccc12
InChIInChI=1S/2C21H22N4O3.C21H21N3O4.2C21H21N3O3/c1-13-11-16(7-10-27-13)28-21-17-5-4-15(12-14(17)6-9-24-21)25-20(26)19-18(22)3-2-8-23-19;1-13-10-27-11-15(13)12-28-21-17-5-4-16(9-14(17)6-8-24-21)25-20(26)19-18(22)3-2-7-23-19;1-13-11-16(7-10-27-13)28-21-17-5-4-15(12-14(17)6-9-23-21)24-20(26)19-18(25)3-2-8-22-19;1-14-12-17(8-11-26-14)27-21-18-6-5-16(13-15(18)7-10-23-21)24-20(25)19-4-2-3-9-22-19;1-14-11-26-12-16(14)13-27-21-18-6-5-17(10-15(18)7-9-23-21)24-20(25)19-4-2-3-8-22-19/h2-6,8-9,12-13,16H,7,10-11,22H2,1H3,(H,25,26);2-9,13,15H,10-12,22H2,1H3,(H,25,26);2-6,8-9,12-13,16,25H,7,10-11H2,1H3,(H,24,26);2-7,9-10,13-14,17H,8,11-12H2,1H3,(H,24,25);2-10,14,16H,11-13H2,1H3,(H,24,25)
InChIKeyINQZJKLIJFZSGF-UHFFFAOYSA-N
MW1863.11 g/mol
LogP17.44
Rot. Bonds22

About 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide

3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide (PubChem CID 165003024) has the molecular formula C105H107N17O16 and a molecular weight of 1863.11 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
PubChem CID165003024
Molecular FormulaC105H107N17O16
Molecular Weight1863.11 g/mol
Exact Mass1861.81
IUPAC Name3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
SMILESCC1CC(Oc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1.CC1CC(Oc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1.CC1CC(Oc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCO1.CC1COCC1COc1nccc2cc(NC(=O)c3ccccn3)ccc12.CC1COCC1COc1nccc2cc(NC(=O)c3ncccc3N)ccc12
InChIInChI=1S/2C21H22N4O3.C21H21N3O4.2C21H21N3O3/c1-13-11-16(7-10-27-13)28-21-17-5-4-15(12-14(17)6-9-24-21)25-20(26)19-18(22)3-2-8-23-19;1-13-10-27-11-15(13)12-28-21-17-5-4-16(9-14(17)6-8-24-21)25-20(26)19-18(22)3-2-7-23-19;1-13-11-16(7-10-27-13)28-21-17-5-4-15(12-14(17)6-9-23-21)24-20(26)19-18(25)3-2-8-22-19;1-14-12-17(8-11-26-14)27-21-18-6-5-16(13-15(18)7-10-23-21)24-20(25)19-4-2-3-9-22-19;1-14-11-26-12-16(14)13-27-21-18-6-5-17(10-15(18)7-9-23-21)24-20(25)19-4-2-3-8-22-19/h2-6,8-9,12-13,16H,7,10-11,22H2,1H3,(H,25,26);2-9,13,15H,10-12,22H2,1H3,(H,25,26);2-6,8-9,12-13,16,25H,7,10-11H2,1H3,(H,24,26);2-7,9-10,13-14,17H,8,11-12H2,1H3,(H,24,25);2-10,14,16H,11-13H2,1H3,(H,24,25)
InChIKeyINQZJKLIJFZSGF-UHFFFAOYSA-N
XLogP17.44
TPSA438.97 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001863.11
LogP ≤ 517.44
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Analyze 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-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-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide (CID 165003024) is 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide is CC1CC(Oc2nccc3cc(NC(=O)c4ccccn4)ccc23)CCO1.CC1CC(Oc2nccc3cc(NC(=O)c4ncccc4N)ccc23)CCO1.CC1CC(Oc2nccc3cc(NC(=O)c4ncccc4O)ccc23)CCO1.CC1COCC1COc1nccc2cc(NC(=O)c3ccccn3)ccc12.CC1COCC1COc1nccc2cc(NC(=O)c3ncccc3N)ccc12.
What is the InChIKey of 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
The InChIKey is INQZJKLIJFZSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H22N4O3.C21H21N3O4.2C21H21N3O3/c1-13-11-16(7-10-27-13)28-21-17-5-4-15(12-14(17)6-9-24-21)25-20(26)19-18(22)3-2-8-23-19;1-13-10-27-11-15(13)12-28-21-17-5-4-16(9-14(17)6-8-24-21)25-20(26)19-18(22)3-2-7-23-19;1-13-11-16(7-10-27-13)28-21-17-5-4-15(12-14(17)6-9-23-21)24-20(26)19-18(25)3-2-8-22-19;1-14-12-17(8-11-26-14)27-21-18-6-5-16(13-15(18)7-10-23-21)24-20(25)19-4-2-3-9-22-19;1-14-11-26-12-16(14)13-27-21-18-6-5-17(10-15(18)7-9-23-21)24-20(25)19-4-2-3-8-22-19/h2-6,8-9,12-13,16H,7,10-11,22H2,1H3,(H,25,26);2-9,13,15H,10-12,22H2,1H3,(H,25,26);2-6,8-9,12-13,16,25H,7,10-11H2,1H3,(H,24,26);2-7,9-10,13-14,17H,8,11-12H2,1H3,(H,24,25);2-10,14,16H,11-13H2,1H3,(H,24,25).
What are the key properties of 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide?
3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide has a molecular weight of 1863.11 g/mol, XLogP of 17.44, 22 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 165003024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).