(1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile

C21H18N4O — CID 170178687

IUPAC(1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile
SMILESC/N=C1\NC(=O)[C@@]2(CCc3c(C#N)cccc32)c2cc(C3CC3)ncc21
InChIInChI=1S/C21H18N4O/c1-23-19-15-11-24-18(12-5-6-12)9-17(15)21(20(26)25-19)8-7-14-13(10-22)3-2-4-16(14)21/h2-4,9,11-12H,5-8H2,1H3,(H,23,25,26)/t21-/m1/s1
InChIKeyODGGVUQVWUDVOF-OAQYLSRUSA-N
MW342.40 g/mol
LogP2.57
Rot. Bonds1

About (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile

(1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile (PubChem CID 170178687) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile.

Molecular Properties

Compound Name(1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile
PubChem CID170178687
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name(1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile
SMILESC/N=C1\NC(=O)[C@@]2(CCc3c(C#N)cccc32)c2cc(C3CC3)ncc21
InChIInChI=1S/C21H18N4O/c1-23-19-15-11-24-18(12-5-6-12)9-17(15)21(20(26)25-19)8-7-14-13(10-22)3-2-4-16(14)21/h2-4,9,11-12H,5-8H2,1H3,(H,23,25,26)/t21-/m1/s1
InChIKeyODGGVUQVWUDVOF-OAQYLSRUSA-N
XLogP2.57
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile?
The IUPAC name of (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile (CID 170178687) is (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile.
What is the SMILES notation for (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile?
The canonical SMILES for (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile is C/N=C1\NC(=O)[C@@]2(CCc3c(C#N)cccc32)c2cc(C3CC3)ncc21.
What is the InChIKey of (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile?
The InChIKey is ODGGVUQVWUDVOF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H18N4O/c1-23-19-15-11-24-18(12-5-6-12)9-17(15)21(20(26)25-19)8-7-14-13(10-22)3-2-4-16(14)21/h2-4,9,11-12H,5-8H2,1H3,(H,23,25,26)/t21-/m1/s1.
What are the key properties of (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile?
(1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile has a molecular weight of 342.40 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6'-cyclopropyl-1'-methylimino-3'-oxospiro[2,3-dihydroindene-1,4'-2,7-naphthyridine]-4-carbonitrile is sourced from PubChem (CID 170178687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).