(4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide

C16H20N5O8-3 — CID 163163992

About (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide

(4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide (PubChem CID 163163992) has the molecular formula C16H20N5O8-3 and a molecular weight of 410.36 g/mol. Its IUPAC name is (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide
• PubChem CID: 163163992
• Molecular Formula: C16H20N5O8-3
• Molecular Weight: 410.36 g/mol
• Exact Mass: 410.13
• IUPAC Name: (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide
• SMILES: CC1=C(C(=O)NCCON([O-])O)[C@@H](c2cccc(N([O-])O)c2)C(N([O-])O)=C(C)N1
• InChI: InChI=1S/C16H20N5O8/c1-9-13(16(22)17-6-7-29-21(27)28)14(15(20(25)26)10(2)18-9)11-4-3-5-12(8-11)19(23)24/h3-5,8,14,18,23,25,27H,6-7H2,1-2H3,(H,17,22)/q-3/t14-/m1/s1
• InChIKey: WCDOADDZGAYQFZ-CQSZACIVSA-N
• XLogP: 1.00
• TPSA: 189.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.36
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide?

The IUPAC name of (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide (CID 163163992) is (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide.

What is the SMILES notation for (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide?

The canonical SMILES for (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide is CC1=C(C(=O)NCCON([O-])O)[C@@H](c2cccc(N([O-])O)c2)C(N([O-])O)=C(C)N1.

What is the InChIKey of (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide?

The InChIKey is WCDOADDZGAYQFZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N5O8/c1-9-13(16(22)17-6-7-29-21(27)28)14(15(20(25)26)10(2)18-9)11-4-3-5-12(8-11)19(23)24/h3-5,8,14,18,23,25,27H,6-7H2,1-2H3,(H,17,22)/q-3/t14-/m1/s1.

What are the key properties of (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide?

(4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide has a molecular weight of 410.36 g/mol, XLogP of 1.00, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[hydroxy(oxido)amino]-N-[2-[hydroxy(oxido)amino]oxyethyl]-4-[3-[hydroxy(oxido)amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 163163992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).