N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

C26H26N6O2 — CID 68854281

About N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide

N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (PubChem CID 68854281) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 68854281
• Molecular Formula: C26H26N6O2
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.21
• IUPAC Name: N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide
• SMILES: CC(=O)N1CCC(C)(C)c2ccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)cc21
• InChI: InChI=1S/C26H26N6O2/c1-16(33)32-12-10-26(2,3)21-9-8-19(14-23(21)32)30-25(34)20-5-4-11-27-24(20)29-18-7-6-17-15-28-31-22(17)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,27,29)(H,28,31)(H,30,34)
• InChIKey: XANKHLDCZLHEEO-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide (CID 68854281) is N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is CC(=O)N1CCC(C)(C)c2ccc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)cc21.

What is the InChIKey of N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

The InChIKey is XANKHLDCZLHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-16(33)32-12-10-26(2,3)21-9-8-19(14-23(21)32)30-25(34)20-5-4-11-27-24(20)29-18-7-6-17-15-28-31-22(17)13-18/h4-9,11,13-15H,10,12H2,1-3H3,(H,27,29)(H,28,31)(H,30,34).

What are the key properties of N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide?

N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-acetyl-4,4-dimethyl-2,3-dihydroquinolin-7-yl)-2-(1H-indazol-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 68854281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).