6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C19H28N4O2 — CID 170141819

IUPAC6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCCC(C)N1CC2(CN3CCc4ncc(C(=O)NO)cc4C3)CC1C2
InChIInChI=1S/C19H28N4O2/c1-3-13(2)23-12-19(7-16(23)8-19)11-22-5-4-17-15(10-22)6-14(9-20-17)18(24)21-25/h6,9,13,16,25H,3-5,7-8,10-12H2,1-2H3,(H,21,24)
InChIKeyKNXIOZYQBUPBQM-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.82
Rot. Bonds5

About 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 170141819) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID170141819
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCCC(C)N1CC2(CN3CCc4ncc(C(=O)NO)cc4C3)CC1C2
InChIInChI=1S/C19H28N4O2/c1-3-13(2)23-12-19(7-16(23)8-19)11-22-5-4-17-15(10-22)6-14(9-20-17)18(24)21-25/h6,9,13,16,25H,3-5,7-8,10-12H2,1-2H3,(H,21,24)
InChIKeyKNXIOZYQBUPBQM-UHFFFAOYSA-N
XLogP1.82
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 170141819) is 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CCC(C)N1CC2(CN3CCc4ncc(C(=O)NO)cc4C3)CC1C2.
What is the InChIKey of 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is KNXIOZYQBUPBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-3-13(2)23-12-19(7-16(23)8-19)11-22-5-4-17-15(10-22)6-14(9-20-17)18(24)21-25/h6,9,13,16,25H,3-5,7-8,10-12H2,1-2H3,(H,21,24).
What are the key properties of 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 170141819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).