2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide

C32H45N5O — CID 123694722

About 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide

2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide (PubChem CID 123694722) has the molecular formula C32H45N5O and a molecular weight of 515.75 g/mol. Its IUPAC name is 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide
• PubChem CID: 123694722
• Molecular Formula: C32H45N5O
• Molecular Weight: 515.75 g/mol
• Exact Mass: 515.36
• IUPAC Name: 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide
• SMILES: CC(C)CN1CCC(NC(=O)C2=CC(C)Nc3ccc(-c4cncc(CN5CCC(C)CC5)c4)cc32)CC1
• InChI: InChI=1S/C32H45N5O/c1-22(2)20-36-13-9-28(10-14-36)35-32(38)30-15-24(4)34-31-6-5-26(17-29(30)31)27-16-25(18-33-19-27)21-37-11-7-23(3)8-12-37/h5-6,15-19,22-24,28,34H,7-14,20-21H2,1-4H3,(H,35,38)
• InChIKey: ASVDYNIKUMUEGF-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 60.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.75
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide?

The IUPAC name of 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide (CID 123694722) is 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide.

What is the SMILES notation for 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide?

The canonical SMILES for 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide is CC(C)CN1CCC(NC(=O)C2=CC(C)Nc3ccc(-c4cncc(CN5CCC(C)CC5)c4)cc32)CC1.

What is the InChIKey of 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide?

The InChIKey is ASVDYNIKUMUEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O/c1-22(2)20-36-13-9-28(10-14-36)35-32(38)30-15-24(4)34-31-6-5-26(17-29(30)31)27-16-25(18-33-19-27)21-37-11-7-23(3)8-12-37/h5-6,15-19,22-24,28,34H,7-14,20-21H2,1-4H3,(H,35,38).

What are the key properties of 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide?

2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 515.75 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-6-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-N-[1-(2-methylpropyl)piperidin-4-yl]-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 123694722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).