1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

C21H26N4O — CID 16730658

IUPAC1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N4O/c1-24(2)20(26)17-14-21(18-6-4-3-5-16(17)18)8-11-25(12-9-21)19-13-15(22)7-10-23-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H2,22,23)
InChIKeyZUCLPYSGDNZUOF-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.78
Rot. Bonds2

About 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide

1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (PubChem CID 16730658) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.

Molecular Properties

Compound Name1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
PubChem CID16730658
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
SMILESCN(C)C(=O)C1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N4O/c1-24(2)20(26)17-14-21(18-6-4-3-5-16(17)18)8-11-25(12-9-21)19-13-15(22)7-10-23-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H2,22,23)
InChIKeyZUCLPYSGDNZUOF-UHFFFAOYSA-N
XLogP2.78
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The IUPAC name of 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide (CID 16730658) is 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide.
What is the SMILES notation for 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The canonical SMILES for 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)C1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21.
What is the InChIKey of 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
The InChIKey is ZUCLPYSGDNZUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24(2)20(26)17-14-21(18-6-4-3-5-16(17)18)8-11-25(12-9-21)19-13-15(22)7-10-23-19/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H2,22,23).
What are the key properties of 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide?
1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 16730658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).