5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide

C26H23ClN4O2 — CID 175868348

About 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide

5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide (PubChem CID 175868348) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide
• PubChem CID: 175868348
• Molecular Formula: C26H23ClN4O2
• Molecular Weight: 458.95 g/mol
• Exact Mass: 458.15
• IUPAC Name: 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide
• SMILES: COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc(Nc3nccc4ccc(Cl)cc34)cn1)C2
• InChI: InChI=1S/C26H23ClN4O2/c1-33-22-8-4-17-12-20(6-3-18(17)13-22)31-26(32)24-9-7-21(15-29-24)30-25-23-14-19(27)5-2-16(23)10-11-28-25/h2,4-5,7-11,13-15,20H,3,6,12H2,1H3,(H,28,30)(H,31,32)/t20-/m1/s1
• InChIKey: CAKUEDHQLHTWBY-HXUWFJFHSA-N
• XLogP: 5.32
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.95
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide?

The IUPAC name of 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide (CID 175868348) is 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide?

The canonical SMILES for 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide is COc1ccc2c(c1)CC[C@@H](NC(=O)c1ccc(Nc3nccc4ccc(Cl)cc34)cn1)C2.

What is the InChIKey of 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide?

The InChIKey is CAKUEDHQLHTWBY-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c1-33-22-8-4-17-12-20(6-3-18(17)13-22)31-26(32)24-9-7-21(15-29-24)30-25-23-14-19(27)5-2-16(23)10-11-28-25/h2,4-5,7-11,13-15,20H,3,6,12H2,1H3,(H,28,30)(H,31,32)/t20-/m1/s1.

What are the key properties of 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide?

5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(7-chloroisoquinolin-1-yl)amino]-N-[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175868348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).