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

C20H29N3O2 — CID 169125865

IUPAC(7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@@H]1Cc2ncc(C(=O)NO)cc2CN1C1CC2(CCCCC2)C1
InChIInChI=1S/C20H29N3O2/c1-2-16-9-18-15(8-14(12-21-18)19(24)22-25)13-23(16)17-10-20(11-17)6-4-3-5-7-20/h8,12,16-17,25H,2-7,9-11,13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyPXAOFEJRRMCPFT-MRXNPFEDSA-N
MW343.47 g/mol
LogP3.45
Rot. Bonds3

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

(7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 169125865) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID169125865
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@@H]1Cc2ncc(C(=O)NO)cc2CN1C1CC2(CCCCC2)C1
InChIInChI=1S/C20H29N3O2/c1-2-16-9-18-15(8-14(12-21-18)19(24)22-25)13-23(16)17-10-20(11-17)6-4-3-5-7-20/h8,12,16-17,25H,2-7,9-11,13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyPXAOFEJRRMCPFT-MRXNPFEDSA-N
XLogP3.45
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.45
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

(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-(7-oxaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125863
(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
(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170136845
(7R)-6-cyclobutyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125892
(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-[[(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
(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 (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 169125865) is (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CC[C@@H]1Cc2ncc(C(=O)NO)cc2CN1C1CC2(CCCCC2)C1.
What is the InChIKey of (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is PXAOFEJRRMCPFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-16-9-18-15(8-14(12-21-18)19(24)22-25)13-23(16)17-10-20(11-17)6-4-3-5-7-20/h8,12,16-17,25H,2-7,9-11,13H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
(7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethyl-N-hydroxy-6-spiro[3.5]nonan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 169125865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).