(3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide

C29H28N6O6 — CID 87976997

About (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide

(3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide (PubChem CID 87976997) has the molecular formula C29H28N6O6 and a molecular weight of 556.58 g/mol. Its IUPAC name is (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide.

Molecular Properties

• Compound Name: (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide
• PubChem CID: 87976997
• Molecular Formula: C29H28N6O6
• Molecular Weight: 556.58 g/mol
• Exact Mass: 556.21
• IUPAC Name: (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide
• SMILES: Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
• InChI: InChI=1S/C29H28N6O6/c1-18-14-19(23-4-2-3-5-26(23)31-18)17-41-22-9-6-20(7-10-22)32-28(36)24-12-13-34(16-25(24)29(37)33-38)27-11-8-21(15-30-27)35(39)40/h2-11,14-15,24-25,38H,12-13,16-17H2,1H3,(H,32,36)(H,33,37)/t24-,25-/m0/s1
• InChIKey: ONHURCZEYQYXJJ-DQEYMECFSA-N
• XLogP: 4.01
• TPSA: 159.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.58
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide?

The IUPAC name of (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide (CID 87976997) is (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide.

What is the SMILES notation for (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide?

The canonical SMILES for (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide is Cc1cc(COc2ccc(NC(=O)[C@H]3CCN(c4ccc([N+](=O)[O-])cn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.

What is the InChIKey of (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide?

The InChIKey is ONHURCZEYQYXJJ-DQEYMECFSA-N. The full InChI is InChI=1S/C29H28N6O6/c1-18-14-19(23-4-2-3-5-26(23)31-18)17-41-22-9-6-20(7-10-22)32-28(36)24-12-13-34(16-25(24)29(37)33-38)27-11-8-21(15-30-27)35(39)40/h2-11,14-15,24-25,38H,12-13,16-17H2,1H3,(H,32,36)(H,33,37)/t24-,25-/m0/s1.

What are the key properties of (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide?

(3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide has a molecular weight of 556.58 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide is sourced from PubChem (CID 87976997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).