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

C29H28N6O6 — CID 87977281

IUPAC(3R)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide
SMILESCc1cc(COc2ccc(NC(=O)C3CCN(c4ccc([N+](=O)[O-])cn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=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
InChIKeyONHURCZEYQYXJJ-BBMPLOMVSA-N
MW556.58 g/mol
LogP4.01
Rot. Bonds8

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

(3R)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide (PubChem CID 87977281) has the molecular formula C29H28N6O6 and a molecular weight of 556.58 g/mol. Its IUPAC name is (3R)-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)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide
PubChem CID87977281
Molecular FormulaC29H28N6O6
Molecular Weight556.58 g/mol
Exact Mass556.21
IUPAC Name(3R)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide
SMILESCc1cc(COc2ccc(NC(=O)C3CCN(c4ccc([N+](=O)[O-])cn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1
InChIInChI=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
InChIKeyONHURCZEYQYXJJ-BBMPLOMVSA-N
XLogP4.01
TPSA159.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.58
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-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)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide (CID 87977281) is (3R)-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)-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)-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)C3CCN(c4ccc([N+](=O)[O-])cn4)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of (3R)-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-BBMPLOMVSA-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)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-1-(5-nitro-2-pyridinyl)piperidine-3,4-dicarboxamide?
(3R)-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)-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 87977281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).