(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide

C20H21N3O3 — CID 122624491

IUPAC(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
SMILESO=C1C[C@]2(CCc3cc(C(=O)N(O)Cc4cccnc4)ccc3C2)CN1
InChIInChI=1S/C20H21N3O3/c24-18-10-20(13-22-18)6-5-15-8-16(3-4-17(15)9-20)19(25)23(26)12-14-2-1-7-21-11-14/h1-4,7-8,11,26H,5-6,9-10,12-13H2,(H,22,24)/t20-/m1/s1
InChIKeyUXQAIYVAUUPLCY-HXUWFJFHSA-N
MW351.41 g/mol
LogP2.11
Rot. Bonds3

About (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide

(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide (PubChem CID 122624491) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
PubChem CID122624491
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide
SMILESO=C1C[C@]2(CCc3cc(C(=O)N(O)Cc4cccnc4)ccc3C2)CN1
InChIInChI=1S/C20H21N3O3/c24-18-10-20(13-22-18)6-5-15-8-16(3-4-17(15)9-20)19(25)23(26)12-14-2-1-7-21-11-14/h1-4,7-8,11,26H,5-6,9-10,12-13H2,(H,22,24)/t20-/m1/s1
InChIKeyUXQAIYVAUUPLCY-HXUWFJFHSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.11
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 (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide (CID 122624491) is (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide is O=C1C[C@]2(CCc3cc(C(=O)N(O)Cc4cccnc4)ccc3C2)CN1.
What is the InChIKey of (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
The InChIKey is UXQAIYVAUUPLCY-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-10-20(13-22-18)6-5-15-8-16(3-4-17(15)9-20)19(25)23(26)12-14-2-1-7-21-11-14/h1-4,7-8,11,26H,5-6,9-10,12-13H2,(H,22,24)/t20-/m1/s1.
What are the key properties of (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide?
(6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-hydroxy-2'-oxo-N-(pyridin-3-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122624491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).