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

C21H24N4O3 — CID 122624614

IUPAC(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCN(C)c1ccc(N(O)C(=O)c2ccc3c(c2)CC[C@@]2(CCNC2=O)C3)cn1
InChIInChI=1S/C21H24N4O3/c1-24(2)18-6-5-17(13-23-18)25(28)19(26)15-3-4-16-12-21(8-7-14(16)11-15)9-10-22-20(21)27/h3-6,11,13,28H,7-10,12H2,1-2H3,(H,22,27)/t21-/m1/s1
InChIKeyXAGVKSUUVDWBJZ-OAQYLSRUSA-N
MW380.45 g/mol
LogP2.18
Rot. Bonds3

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

(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 122624614) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID122624614
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESCN(C)c1ccc(N(O)C(=O)c2ccc3c(c2)CC[C@@]2(CCNC2=O)C3)cn1
InChIInChI=1S/C21H24N4O3/c1-24(2)18-6-5-17(13-23-18)25(28)19(26)15-3-4-16-12-21(8-7-14(16)11-15)9-10-22-20(21)27/h3-6,11,13,28H,7-10,12H2,1-2H3,(H,22,27)/t21-/m1/s1
InChIKeyXAGVKSUUVDWBJZ-OAQYLSRUSA-N
XLogP2.18
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.18
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

(6R)-N-hydroxy-N-(6-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624547
(6R)-N-hydroxy-2'-oxo-N-quinolin-3-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624596
(7S)-N-hydroxy-2'-oxo-N-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122622984
(6S)-N-hydroxy-N-(4-methyl-3-pyridinyl)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624611
(7S)-N-[4-[2-(dimethylamino)ethyl]phenyl]-N-hydroxy-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623007
7-acetylspiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2'-one
CID 122634837
(6R)-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616298
(6R)-N-(2-cyanophenyl)-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624691
(6R)-N-hydroxy-N-[(4-methylsulfonylphenyl)methyl]-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 122624532
(6R)-N-cyclopropyl-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
CID 122624589
methyl (7S)-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxylate
CID 122619725
(7S)-N-hydroxy-N-[(2-methylphenyl)methyl]-2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122623083

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 122624614) is (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is CN(C)c1ccc(N(O)C(=O)c2ccc3c(c2)CC[C@@]2(CCNC2=O)C3)cn1.
What is the InChIKey of (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is XAGVKSUUVDWBJZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-24(2)18-6-5-17(13-23-18)25(28)19(26)15-3-4-16-12-21(8-7-14(16)11-15)9-10-22-20(21)27/h3-6,11,13,28H,7-10,12H2,1-2H3,(H,22,27)/t21-/m1/s1.
What are the key properties of (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[6-(dimethylamino)-3-pyridinyl]-N-hydroxy-2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 122624614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).