2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide

C24H23N5OS — CID 166783949

About 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide (PubChem CID 166783949) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide
• PubChem CID: 166783949
• Molecular Formula: C24H23N5OS
• Molecular Weight: 429.55 g/mol
• Exact Mass: 429.16
• IUPAC Name: 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide
• SMILES: CN1CC=C(C2CC(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)=CC=N2)CC1
• InChI: InChI=1S/C24H23N5OS/c1-29-8-5-16(6-9-29)21-11-18(4-7-26-21)24(30)28-23-12-20-10-17(22-14-25-15-31-22)2-3-19(20)13-27-23/h2-5,7,10,12-15,21H,6,8-9,11H2,1H3,(H,27,28,30)
• InChIKey: SWZAKAPMZXNNOH-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 70.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.55
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide?

The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide (CID 166783949) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide.

What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide?

The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide is CN1CC=C(C2CC(C(=O)Nc3cc4cc(-c5cncs5)ccc4cn3)=CC=N2)CC1.

What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide?

The InChIKey is SWZAKAPMZXNNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-29-8-5-16(6-9-29)21-11-18(4-7-26-21)24(30)28-23-12-20-10-17(22-14-25-15-31-22)2-3-19(20)13-27-23/h2-5,7,10,12-15,21H,6,8-9,11H2,1H3,(H,27,28,30).

What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide?

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 166783949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).