(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C17H25N3O2 — CID 170136845

IUPAC(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-2-14-9-16-13(8-12(10-18-16)17(21)19-22)11-20(14)15-6-4-3-5-7-15/h8,10,14-15,22H,2-7,9,11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyDZIWXOYPSYCQSL-AWEZNQCLSA-N
MW303.41 g/mol
LogP2.67
Rot. Bonds3

About (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 170136845) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID170136845
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-2-14-9-16-13(8-12(10-18-16)17(21)19-22)11-20(14)15-6-4-3-5-7-15/h8,10,14-15,22H,2-7,9,11H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyDZIWXOYPSYCQSL-AWEZNQCLSA-N
XLogP2.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 170136845) is (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CC[C@H]1Cc2ncc(C(=O)NO)cc2CN1C1CCCCC1.
What is the InChIKey of (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is DZIWXOYPSYCQSL-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-14-9-16-13(8-12(10-18-16)17(21)19-22)11-20(14)15-6-4-3-5-7-15/h8,10,14-15,22H,2-7,9,11H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
(7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6-cyclohexyl-7-ethyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 170136845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).