N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

C15H21N3O3 — CID 147008290

IUPACN-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESCCC(C)CC(=O)N1CCc2nc(C(=O)NO)ccc2C1
InChIInChI=1S/C15H21N3O3/c1-3-10(2)8-14(19)18-7-6-12-11(9-18)4-5-13(16-12)15(20)17-21/h4-5,10,21H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyATJSCXBLIYGBFD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.52
Rot. Bonds4

About N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (PubChem CID 147008290) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
PubChem CID147008290
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESCCC(C)CC(=O)N1CCc2nc(C(=O)NO)ccc2C1
InChIInChI=1S/C15H21N3O3/c1-3-10(2)8-14(19)18-7-6-12-11(9-18)4-5-13(16-12)15(20)17-21/h4-5,10,21H,3,6-9H2,1-2H3,(H,17,20)
InChIKeyATJSCXBLIYGBFD-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.52
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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Related Compounds

1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-3-methylpentan-1-one
CID 163351897
N-hydroxy-6-(2-methyl-1,3-thiazole-4-carbonyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 88578268
2-N-hydroxy-6-N-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine-2,6-dicarboxamide
CID 87148315
2-hydroxy-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163544536
N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 88578323
1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 139539068
2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555329
3-hydroxy-1-(2-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 129100147
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555308
(3S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-5-oxopentanoic acid
CID 41244365
N-ethyl-6-(2-fluoro-6-nitrobenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 69400082
6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 160731359

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (CID 147008290) is N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is CCC(C)CC(=O)N1CCc2nc(C(=O)NO)ccc2C1.
What is the InChIKey of N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The InChIKey is ATJSCXBLIYGBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-10(2)8-14(19)18-7-6-12-11(9-18)4-5-13(16-12)15(20)17-21/h4-5,10,21H,3,6-9H2,1-2H3,(H,17,20).
What are the key properties of N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(3-methylpentanoyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 147008290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).