N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide

C24H27N5O4 — CID 18379278

About N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide

N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide (PubChem CID 18379278) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide
• PubChem CID: 18379278
• Molecular Formula: C24H27N5O4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.21
• IUPAC Name: N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide
• SMILES: Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCNCC3)cn2)c2ccccc2n1
• InChI: InChI=1S/C24H27N5O4/c1-16-12-18(19-4-2-3-5-20(19)27-16)15-33-22-7-6-17(14-26-22)23(31)28-24(13-21(30)29-32)8-10-25-11-9-24/h2-7,12,14,25,32H,8-11,13,15H2,1H3,(H,28,31)(H,29,30)
• InChIKey: HEQPPLOYNUFRMV-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 125.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide?

The IUPAC name of N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide (CID 18379278) is N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCNCC3)cn2)c2ccccc2n1.

What is the InChIKey of N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide?

The InChIKey is HEQPPLOYNUFRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-16-12-18(19-4-2-3-5-20(19)27-16)15-33-22-7-6-17(14-26-22)23(31)28-24(13-21(30)29-32)8-10-25-11-9-24/h2-7,12,14,25,32H,8-11,13,15H2,1H3,(H,28,31)(H,29,30).

What are the key properties of N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide?

N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(hydroxyamino)-2-oxoethyl]piperidin-4-yl]-6-[(2-methylquinolin-4-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 18379278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).