(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C20H21N3O4 — CID 122616556

IUPAC(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCOc1ncccc1N1CC[C@@]2(CCc3cc(C(=O)NO)ccc3C2)C1=O
InChIInChI=1S/C20H21N3O4/c1-27-18-16(3-2-9-21-18)23-10-8-20(19(23)25)7-6-13-11-14(17(24)22-26)4-5-15(13)12-20/h2-5,9,11,26H,6-8,10,12H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyQTLLXZBBNANMBJ-HXUWFJFHSA-N
MW367.41 g/mol
LogP2.12
Rot. Bonds3

About (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 122616556) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID122616556
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCOc1ncccc1N1CC[C@@]2(CCc3cc(C(=O)NO)ccc3C2)C1=O
InChIInChI=1S/C20H21N3O4/c1-27-18-16(3-2-9-21-18)23-10-8-20(19(23)25)7-6-13-11-14(17(24)22-26)4-5-15(13)12-20/h2-5,9,11,26H,6-8,10,12H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyQTLLXZBBNANMBJ-HXUWFJFHSA-N
XLogP2.12
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.12
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'}

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Related Compounds

N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747802
N-hydroxy-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747820
(6S)-N-hydroxy-1'-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;sulfane
CID 158047639
(2S)-N-hydroxy-2'-oxo-1'-pyridin-2-ylspiro[1,3-dihydroindene-2,3'-pyrrolidine]-5-carboxamide
CID 138707621
(7S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619693
N-hydroxy-1'-[(3-methoxyphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 140747792
(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616409
N-hydroxy-1'-methyl-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-azocane]-2-carboxamide
CID 122616612
(6R)-1'-but-2-ynyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616387
(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616521
(6R)-1'-cyclobutyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 122616327
(6S)-N-hydroxy-1'-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122616489

Frequently Asked Questions

What is the IUPAC name of (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 122616556) is (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is COc1ncccc1N1CC[C@@]2(CCc3cc(C(=O)NO)ccc3C2)C1=O.
What is the InChIKey of (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is QTLLXZBBNANMBJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-18-16(3-2-9-21-18)23-10-8-20(19(23)25)7-6-13-11-14(17(24)22-26)4-5-15(13)12-20/h2-5,9,11,26H,6-8,10,12H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-hydroxy-1'-(2-methoxy-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122616556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).