(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone

C19H22N4O — CID 156532889

IUPAC(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
SMILESNc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2CN3)ccn1
InChIInChI=1S/C19H22N4O/c20-17-11-14(5-8-21-17)18(24)23-9-6-19(7-10-23)12-15-3-1-2-4-16(15)13-22-19/h1-5,8,11,22H,6-7,9-10,12-13H2,(H2,20,21)
InChIKeyJKBLRPIZFNBYSI-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.98
Rot. Bonds1

About (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone

(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone (PubChem CID 156532889) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
PubChem CID156532889
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone
SMILESNc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2CN3)ccn1
InChIInChI=1S/C19H22N4O/c20-17-11-14(5-8-21-17)18(24)23-9-6-19(7-10-23)12-15-3-1-2-4-16(15)13-22-19/h1-5,8,11,22H,6-7,9-10,12-13H2,(H2,20,21)
InChIKeyJKBLRPIZFNBYSI-UHFFFAOYSA-N
XLogP1.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone (CID 156532889) is (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone is Nc1cc(C(=O)N2CCC3(CC2)Cc2ccccc2CN3)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is JKBLRPIZFNBYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c20-17-11-14(5-8-21-17)18(24)23-9-6-19(7-10-23)12-15-3-1-2-4-16(15)13-22-19/h1-5,8,11,22H,6-7,9-10,12-13H2,(H2,20,21).
What are the key properties of (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone?
(2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-spiro[2,4-dihydro-1H-isoquinoline-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 156532889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).