N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide

C19H20N4O — CID 824163

IUPACN'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide
SMILESO=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1cccnc1
InChIInChI=1S/C19H20N4O/c24-18(15-7-5-11-20-13-15)23-22-17-16-8-2-1-6-14(16)12-19(21-17)9-3-4-10-19/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,21,22)(H,23,24)
InChIKeyUDEOTVWGZBMHRP-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.63
Rot. Bonds1

About N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide

N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide (PubChem CID 824163) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide
PubChem CID824163
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide
SMILESO=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1cccnc1
InChIInChI=1S/C19H20N4O/c24-18(15-7-5-11-20-13-15)23-22-17-16-8-2-1-6-14(16)12-19(21-17)9-3-4-10-19/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,21,22)(H,23,24)
InChIKeyUDEOTVWGZBMHRP-UHFFFAOYSA-N
XLogP2.63
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide?
The IUPAC name of N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide (CID 824163) is N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide.
What is the SMILES notation for N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide?
The canonical SMILES for N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide is O=C(NNC1=NC2(CCCC2)Cc2ccccc21)c1cccnc1.
What is the InChIKey of N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide?
The InChIKey is UDEOTVWGZBMHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-18(15-7-5-11-20-13-15)23-22-17-16-8-2-1-6-14(16)12-19(21-17)9-3-4-10-19/h1-2,5-8,11,13H,3-4,9-10,12H2,(H,21,22)(H,23,24).
What are the key properties of N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide?
N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide has a molecular weight of 320.40 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-spiro[4H-isoquinoline-3,1'-cyclopentane]-1-ylpyridine-3-carbohydrazide is sourced from PubChem (CID 824163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).