(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide

C19H20ClN3O3 — CID 129057588

IUPAC(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)C1=CC2CC[C@]3(CCN(c4cncc(Cl)c4)C3=O)CC2C=C1
InChIInChI=1S/C19H20ClN3O3/c20-15-8-16(11-21-10-15)23-6-5-19(18(23)25)4-3-12-7-13(17(24)22-26)1-2-14(12)9-19/h1-2,7-8,10-12,14,26H,3-6,9H2,(H,22,24)/t12?,14?,19-/m0/s1
InChIKeyQLRVQVSWKRCTNC-JSORRYRYSA-N
MW373.84 g/mol
LogP2.88
Rot. Bonds2

About (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide

(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide (PubChem CID 129057588) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide.

Molecular Properties

Compound Name(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
PubChem CID129057588
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
SMILESO=C(NO)C1=CC2CC[C@]3(CCN(c4cncc(Cl)c4)C3=O)CC2C=C1
InChIInChI=1S/C19H20ClN3O3/c20-15-8-16(11-21-10-15)23-6-5-19(18(23)25)4-3-12-7-13(17(24)22-26)1-2-14(12)9-19/h1-2,7-8,10-12,14,26H,3-6,9H2,(H,22,24)/t12?,14?,19-/m0/s1
InChIKeyQLRVQVSWKRCTNC-JSORRYRYSA-N
XLogP2.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.88
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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Related Compounds

(6R)-1'-[(2,6-dichlorophenyl)methyl]-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 129057617
(6R)-N-hydroxy-2'-oxo-1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide
CID 129057575
7-amino-2-(5-fluoro-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
CID 70653931
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52911401
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 58237139
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123
(7S)-N-hydroxy-2'-oxo-1'-pyridin-3-ylspiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-2-carboxamide
CID 122619693
(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 159763896
2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914329
8-(3,3-difluorocyclobutanecarbonyl)-2-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131690179

Frequently Asked Questions

What is the IUPAC name of (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The IUPAC name of (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide (CID 129057588) is (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide.
What is the SMILES notation for (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The canonical SMILES for (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide is O=C(NO)C1=CC2CC[C@]3(CCN(c4cncc(Cl)c4)C3=O)CC2C=C1.
What is the InChIKey of (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
The InChIKey is QLRVQVSWKRCTNC-JSORRYRYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-15-8-16(11-21-10-15)23-6-5-19(18(23)25)4-3-12-7-13(17(24)22-26)1-2-14(12)9-19/h1-2,7-8,10-12,14,26H,3-6,9H2,(H,22,24)/t12?,14?,19-/m0/s1.
What are the key properties of (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide?
(6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1'-(5-chloro-3-pyridinyl)-N-hydroxy-2'-oxospiro[5,7,8,8a-tetrahydro-4aH-naphthalene-6,3'-pyrrolidine]-2-carboxamide is sourced from PubChem (CID 129057588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).