6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C13H17N3O2 — CID 169125717

IUPAC6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CN(C1CCC1)CC2
InChIInChI=1S/C13H17N3O2/c17-13(15-18)9-6-10-8-16(11-2-1-3-11)5-4-12(10)14-7-9/h6-7,11,18H,1-5,8H2,(H,15,17)
InChIKeyZLIUQOCNIUFFHR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.11
Rot. Bonds2

About 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 169125717) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID169125717
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CN(C1CCC1)CC2
InChIInChI=1S/C13H17N3O2/c17-13(15-18)9-6-10-8-16(11-2-1-3-11)5-4-12(10)14-7-9/h6-7,11,18H,1-5,8H2,(H,15,17)
InChIKeyZLIUQOCNIUFFHR-UHFFFAOYSA-N
XLogP1.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.11
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

2-cyclobutyl-5-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868725
6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 176769100
6-cyclopropyl-7,8-dihydro-5H-1,6-naphthyridin-3-amine
CID 84662225
(7R)-6-cyclobutyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125892
7-(cyclobutylmethyl)-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125281
7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125334
N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 176769059
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 89495036
N-hydroxy-7-[(3R,5S)-7-methyl-7-azaspiro[4.5]decan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125172
(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170136845
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine;ethane
CID 143719023
N-hydroxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide;(2R,6S)-2-methyl-6-propylpiperidine
CID 169125350

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 169125717) is 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is O=C(NO)c1cnc2c(c1)CN(C1CCC1)CC2.
What is the InChIKey of 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is ZLIUQOCNIUFFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13(15-18)9-6-10-8-16(11-2-1-3-11)5-4-12(10)14-7-9/h6-7,11,18H,1-5,8H2,(H,15,17).
What are the key properties of 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 169125717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).