(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

C18H26N4O3 — CID 169125909

IUPAC(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
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C[C@@]12C[C@@H](CO1)N(C)C2
InChIInChI=1S/C18H26N4O3/c1-3-14-5-16-13(4-12(7-19-16)17(23)20-24)8-22(14)11-18-6-15(9-25-18)21(2)10-18/h4,7,14-15,24H,3,5-6,8-11H2,1-2H3,(H,20,23)/t14-,15-,18-/m0/s1
InChIKeyCTBYQHDSYMISSH-MPGHIAIKSA-N
MW346.43 g/mol
LogP0.81
Rot. Bonds4

About (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

(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 (PubChem CID 169125909) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169125909
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(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
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C[C@@]12C[C@@H](CO1)N(C)C2
InChIInChI=1S/C18H26N4O3/c1-3-14-5-16-13(4-12(7-19-16)17(23)20-24)8-22(14)11-18-6-15(9-25-18)21(2)10-18/h4,7,14-15,24H,3,5-6,8-11H2,1-2H3,(H,20,23)/t14-,15-,18-/m0/s1
InChIKeyCTBYQHDSYMISSH-MPGHIAIKSA-N
XLogP0.81
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(3S)-3-ethyl-5-fluoro-N-hydroxy-2-[[(1S,4S)-5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868426
(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
(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
(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
(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)-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
(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
(7R)-6-cyclobutyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125892
(7S)-7-ethyl-N-hydroxy-6-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125863
(7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125865
(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170136845

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C[C@@]12C[C@@H](CO1)N(C)C2.
What is the InChIKey of (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?
The InChIKey is CTBYQHDSYMISSH-MPGHIAIKSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-14-5-16-13(4-12(7-19-16)17(23)20-24)8-22(14)11-18-6-15(9-25-18)21(2)10-18/h4,7,14-15,24H,3,5-6,8-11H2,1-2H3,(H,20,23)/t14-,15-,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 346.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 169125909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).