N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C17H23N3O2 — CID 176769059

IUPACN-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CCN([C@H]1CCC13CCCC3)C2
InChIInChI=1S/C17H23N3O2/c21-16(19-22)13-9-12-4-8-20(11-14(12)18-10-13)15-3-7-17(15)5-1-2-6-17/h9-10,15,22H,1-8,11H2,(H,19,21)/t15-/m0/s1
InChIKeyZQPBIXWRCNWCAQ-HNNXBMFYSA-N
MW301.39 g/mol
LogP2.28
Rot. Bonds2

About N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 176769059) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
PubChem CID176769059
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CCN([C@H]1CCC13CCCC3)C2
InChIInChI=1S/C17H23N3O2/c21-16(19-22)13-9-12-4-8-20(11-14(12)18-10-13)15-3-7-17(15)5-1-2-6-17/h9-10,15,22H,1-8,11H2,(H,19,21)/t15-/m0/s1
InChIKeyZQPBIXWRCNWCAQ-HNNXBMFYSA-N
XLogP2.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.28
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 N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 176769059) is N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is O=C(NO)c1cnc2c(c1)CCN([C@H]1CCC13CCCC3)C2.
What is the InChIKey of N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The InChIKey is ZQPBIXWRCNWCAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(19-22)13-9-12-4-8-20(11-14(12)18-10-13)15-3-7-17(15)5-1-2-6-17/h9-10,15,22H,1-8,11H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 176769059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).