(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile

C19H20N4 — CID 16730580

IUPAC(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile
SMILESN#C[C@H]1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C19H20N4/c20-13-14-12-19(17-4-2-1-3-16(14)17)6-9-23(10-7-19)18-11-15(21)5-8-22-18/h1-5,8,11,14H,6-7,9-10,12H2,(H2,21,22)/t14-/m1/s1
InChIKeyVICQPIDPFCIFDE-CQSZACIVSA-N
MW304.40 g/mol
LogP3.21
Rot. Bonds1

About (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile

(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile (PubChem CID 16730580) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile.

Molecular Properties

Compound Name(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile
PubChem CID16730580
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile
SMILESN#C[C@H]1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C19H20N4/c20-13-14-12-19(17-4-2-1-3-16(14)17)6-9-23(10-7-19)18-11-15(21)5-8-22-18/h1-5,8,11,14H,6-7,9-10,12H2,(H2,21,22)/t14-/m1/s1
InChIKeyVICQPIDPFCIFDE-CQSZACIVSA-N
XLogP3.21
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile?
The IUPAC name of (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile (CID 16730580) is (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile.
What is the SMILES notation for (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile?
The canonical SMILES for (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile is N#C[C@H]1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21.
What is the InChIKey of (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile?
The InChIKey is VICQPIDPFCIFDE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4/c20-13-14-12-19(17-4-2-1-3-16(14)17)6-9-23(10-7-19)18-11-15(21)5-8-22-18/h1-5,8,11,14H,6-7,9-10,12H2,(H2,21,22)/t14-/m1/s1.
What are the key properties of (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile?
(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile has a molecular weight of 304.40 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile is sourced from PubChem (CID 16730580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).