N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C14H19N3O3 — CID 88578323

IUPACN-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC(C)CC(=O)N1CCc2ncc(C(=O)NO)cc2C1
InChIInChI=1S/C14H19N3O3/c1-9(2)5-13(18)17-4-3-12-11(8-17)6-10(7-15-12)14(19)16-20/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyREEMSEXAHZBDBS-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.13
Rot. Bonds3

About N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 88578323) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID88578323
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC(C)CC(=O)N1CCc2ncc(C(=O)NO)cc2C1
InChIInChI=1S/C14H19N3O3/c1-9(2)5-13(18)17-4-3-12-11(8-17)6-10(7-15-12)14(19)16-20/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,19)
InChIKeyREEMSEXAHZBDBS-UHFFFAOYSA-N
XLogP1.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 88578323) is N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CC(C)CC(=O)N1CCc2ncc(C(=O)NO)cc2C1.
What is the InChIKey of N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is REEMSEXAHZBDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)5-13(18)17-4-3-12-11(8-17)6-10(7-15-12)14(19)16-20/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,19).
What are the key properties of N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 88578323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).