(7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C19H27N3O3 — CID 169125863

IUPAC(7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C1CC2(CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c1-2-15-8-17-14(7-13(11-20-17)18(23)21-24)12-22(15)16-9-19(10-16)3-5-25-6-4-19/h7,11,15-16,24H,2-6,8-10,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyGUFMCPIZPQIGPS-HNNXBMFYSA-N
MW345.44 g/mol
LogP2.30
Rot. Bonds3

About (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

(7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 169125863) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID169125863
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C1CC2(CCOCC2)C1
InChIInChI=1S/C19H27N3O3/c1-2-15-8-17-14(7-13(11-20-17)18(23)21-24)12-22(15)16-9-19(10-16)3-5-25-6-4-19/h7,11,15-16,24H,2-6,8-10,12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyGUFMCPIZPQIGPS-HNNXBMFYSA-N
XLogP2.30
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.30
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'}

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Related Compounds

(7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125865
(7S)-7-ethyl-N-hydroxy-6-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125506
(7S)-7-ethyl-N-hydroxy-6-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125671
(7R)-7-ethyl-N-hydroxy-6-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 176769044
(7R)-6-cyclobutyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125892
(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170136845
(7S)-7-ethyl-N-hydroxy-6-[[(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125909
(7S)-7-ethyl-N-hydroxy-6-[(2-methyl-3-oxo-2-azabicyclo[2.2.1]heptan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125827
(7R)-7-ethyl-N-hydroxy-6-[(2-methyl-3-oxo-2-azabicyclo[2.2.2]octan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125690
(7S)-7-ethyl-N-hydroxy-6-[[2-(1-hydroxyethyl)-2-azabicyclo[2.1.1]hexan-4-yl]methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170140243
(7R)-6-(1-azatricyclo[4.2.0.02,8]octan-4-ylmethyl)-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170136770
(3R)-3-ethyl-5-fluoro-N-hydroxy-2-[(6S)-2-methyl-2-azaspiro[3.4]octan-6-yl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868536

Frequently Asked Questions

What is the IUPAC name of (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 169125863) is (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C1CC2(CCOCC2)C1.
What is the InChIKey of (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is GUFMCPIZPQIGPS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-15-8-17-14(7-13(11-20-17)18(23)21-24)12-22(15)16-9-19(10-16)3-5-25-6-4-19/h7,11,15-16,24H,2-6,8-10,12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
(7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 169125863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).