(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

C19H26N4O3 — CID 169125827

IUPAC(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
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1CC12CCC(C1)C(=O)N2C
InChIInChI=1S/C19H26N4O3/c1-3-15-7-16-14(6-13(9-20-16)17(24)21-26)10-23(15)11-19-5-4-12(8-19)18(25)22(19)2/h6,9,12,15,26H,3-5,7-8,10-11H2,1-2H3,(H,21,24)/t12?,15-,19?/m0/s1
InChIKeyAKJGLGBSYAGDLQ-IHBYNMNLSA-N
MW358.44 g/mol
LogP1.35
Rot. Bonds4

About (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

(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 (PubChem CID 169125827) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID169125827
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(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
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1CC12CCC(C1)C(=O)N2C
InChIInChI=1S/C19H26N4O3/c1-3-15-7-16-14(6-13(9-20-16)17(24)21-26)10-23(15)11-19-5-4-12(8-19)18(25)22(19)2/h6,9,12,15,26H,3-5,7-8,10-11H2,1-2H3,(H,21,24)/t12?,15-,19?/m0/s1
InChIKeyAKJGLGBSYAGDLQ-IHBYNMNLSA-N
XLogP1.35
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.35
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'}

Analyze (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 with MolForge

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Related Compounds

(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
(3R)-3-ethyl-5-fluoro-N-hydroxy-2-[(2-methyl-3-oxo-2-azabicyclo[2.2.2]octan-1-yl)methyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 164868430
(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-(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-(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
(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)-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-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125671
(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170136845
(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)-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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC[C@H]1Cc2ncc(C(=O)NO)cc2CN1CC12CCC(C1)C(=O)N2C.
What is the InChIKey of (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?
The InChIKey is AKJGLGBSYAGDLQ-IHBYNMNLSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-15-7-16-14(6-13(9-20-16)17(24)21-26)10-23(15)11-19-5-4-12(8-19)18(25)22(19)2/h6,9,12,15,26H,3-5,7-8,10-11H2,1-2H3,(H,21,24)/t12?,15-,19?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 358.44 g/mol, XLogP of 1.35, 4 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-[(2-methyl-3-oxo-2-azabicyclo[2.2.1]heptan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 169125827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).