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

C20H21N3O3 — CID 140747802

IUPACN-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCc1ncccc1N1CCC2(CCc3cc(C(=O)NO)ccc3C2)C1=O
InChIInChI=1S/C20H21N3O3/c1-13-17(3-2-9-21-13)23-10-8-20(19(23)25)7-6-14-11-15(18(24)22-26)4-5-16(14)12-20/h2-5,9,11,26H,6-8,10,12H2,1H3,(H,22,24)
InChIKeyVPORETOPSGNMQJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.42
Rot. Bonds2

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

N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 140747802) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID140747802
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCc1ncccc1N1CCC2(CCc3cc(C(=O)NO)ccc3C2)C1=O
InChIInChI=1S/C20H21N3O3/c1-13-17(3-2-9-21-13)23-10-8-20(19(23)25)7-6-14-11-15(18(24)22-26)4-5-16(14)12-20/h2-5,9,11,26H,6-8,10,12H2,1H3,(H,22,24)
InChIKeyVPORETOPSGNMQJ-UHFFFAOYSA-N
XLogP2.42
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.42
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-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 140747802) is N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is Cc1ncccc1N1CCC2(CCc3cc(C(=O)NO)ccc3C2)C1=O.
What is the InChIKey of N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is VPORETOPSGNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-17(3-2-9-21-13)23-10-8-20(19(23)25)7-6-14-11-15(18(24)22-26)4-5-16(14)12-20/h2-5,9,11,26H,6-8,10,12H2,1H3,(H,22,24).
What are the key properties of N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1'-(2-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 140747802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).