(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C20H21N3O3 — CID 122624611

IUPAC(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCc1ccncc1N(O)C(=O)c1ccc2c(c1)CC[C@@]1(CCNC1=O)C2
InChIInChI=1S/C20H21N3O3/c1-13-5-8-21-12-17(13)23(26)18(24)15-2-3-16-11-20(6-4-14(16)10-15)7-9-22-19(20)25/h2-3,5,8,10,12,26H,4,6-7,9,11H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyPUKGAONMNGFMCM-HXUWFJFHSA-N
MW351.41 g/mol
LogP2.42
Rot. Bonds2

About (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide

(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 122624611) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID122624611
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCc1ccncc1N(O)C(=O)c1ccc2c(c1)CC[C@@]1(CCNC1=O)C2
InChIInChI=1S/C20H21N3O3/c1-13-5-8-21-12-17(13)23(26)18(24)15-2-3-16-11-20(6-4-14(16)10-15)7-9-22-19(20)25/h2-3,5,8,10,12,26H,4,6-7,9,11H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeyPUKGAONMNGFMCM-HXUWFJFHSA-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 (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 122624611) is (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is Cc1ccncc1N(O)C(=O)c1ccc2c(c1)CC[C@@]1(CCNC1=O)C2.
What is the InChIKey of (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is PUKGAONMNGFMCM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-5-8-21-12-17(13)23(26)18(24)15-2-3-16-11-20(6-4-14(16)10-15)7-9-22-19(20)25/h2-3,5,8,10,12,26H,4,6-7,9,11H2,1H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6S)-N-hydroxy-N-(4-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 (6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122624611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).