N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C23H25N3O3 — CID 23885556

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 23885556) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 23885556
• Molecular Formula: C23H25N3O3
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.19
• IUPAC Name: N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3cccnc3)cc2c1
• InChI: InChI=1S/C23H25N3O3/c1-15-9-16(2)21-18(10-15)11-19(22(27)25-21)13-26(14-20-6-4-8-29-20)23(28)17-5-3-7-24-12-17/h3,5,7,9-12,20H,4,6,8,13-14H2,1-2H3,(H,25,27)
• InChIKey: YPQRODXNEDITMX-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 75.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 23885556) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3cccnc3)cc2c1.

What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

The InChIKey is YPQRODXNEDITMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-9-16(2)21-18(10-15)11-19(22(27)25-21)13-26(14-20-6-4-8-29-20)23(28)17-5-3-7-24-12-17/h3,5,7,9-12,20H,4,6,8,13-14H2,1-2H3,(H,25,27).

What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23885556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).