(2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide

C32H36F2N6O2 — CID 142333341

About (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide

(2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide (PubChem CID 142333341) has the molecular formula C32H36F2N6O2 and a molecular weight of 574.68 g/mol. Its IUPAC name is (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide.

Molecular Properties

• Compound Name: (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide
• PubChem CID: 142333341
• Molecular Formula: C32H36F2N6O2
• Molecular Weight: 574.68 g/mol
• Exact Mass: 574.29
• IUPAC Name: (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide
• SMILES: C[C@@H]1C=C(C(=O)Nc2ccc(N3CCC(O)CC3)nc2)c2cc(-c3cncc(CN4CCC(F)(F)CC4)c3)ccc2N1
• InChI: InChI=1S/C32H36F2N6O2/c1-21-14-28(31(42)38-25-3-5-30(36-19-25)40-10-6-26(41)7-11-40)27-16-23(2-4-29(27)37-21)24-15-22(17-35-18-24)20-39-12-8-32(33,34)9-13-39/h2-5,14-19,21,26,37,41H,6-13,20H2,1H3,(H,38,42)/t21-/m1/s1
• InChIKey: NNRFAWFSYPEJRC-OAQYLSRUSA-N
• XLogP: 5.17
• TPSA: 93.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.68
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide (CID 142333341) is (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide.

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

The canonical SMILES for (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide is C[C@@H]1C=C(C(=O)Nc2ccc(N3CCC(O)CC3)nc2)c2cc(-c3cncc(CN4CCC(F)(F)CC4)c3)ccc2N1.

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

The InChIKey is NNRFAWFSYPEJRC-OAQYLSRUSA-N. The full InChI is InChI=1S/C32H36F2N6O2/c1-21-14-28(31(42)38-25-3-5-30(36-19-25)40-10-6-26(41)7-11-40)27-16-23(2-4-29(27)37-21)24-15-22(17-35-18-24)20-39-12-8-32(33,34)9-13-39/h2-5,14-19,21,26,37,41H,6-13,20H2,1H3,(H,38,42)/t21-/m1/s1.

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

(2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide has a molecular weight of 574.68 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-methyl-1,2-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 142333341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).