N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

C22H28N4O — CID 71193378

IUPACN-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C22H28N4O/c1-15(2)21(27)25-19-14-22(18-6-4-3-5-17(18)19)8-11-26(12-9-22)20-13-16(23)7-10-24-20/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H2,23,24)(H,25,27)
InChIKeyOGEQJYRIKXEIAI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.42
Rot. Bonds3

About N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide

N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (PubChem CID 71193378) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
PubChem CID71193378
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21
InChIInChI=1S/C22H28N4O/c1-15(2)21(27)25-19-14-22(18-6-4-3-5-17(18)19)8-11-26(12-9-22)20-13-16(23)7-10-24-20/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H2,23,24)(H,25,27)
InChIKeyOGEQJYRIKXEIAI-UHFFFAOYSA-N
XLogP3.42
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-2-carboxamide
CID 69401295
1'-(4-amino-2-pyridinyl)-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 16730658
(1S)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile
CID 16730580
(1R)-1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carbonitrile
CID 69400937
N-[(1R)-1'-[2-(dimethylamino)-2-oxoethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 97400190
ethyl 1'-(4-amino-2-pyridinyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 159479353
(1R)-1'-(4-amino-2-pyridinyl)-N-(2-phenoxyethyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxamide
CID 69399472
1'-[4-[ethyl(methyl)amino]-2-pyridinyl]-N,N-dimethylspiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 69408304
2-[7-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]pyridin-4-amine
CID 71193560
(2R)-2-amino-N-(3,3-dimethyl-1,2-dihydroinden-1-yl)propanamide
CID 120873256
1'-(4-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide
CID 69400679
(2R)-1'-(4-amino-2-pyridinyl)-N-[(2-chlorophenyl)methyl]spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxamide
CID 69401068

Frequently Asked Questions

What is the IUPAC name of N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The IUPAC name of N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide (CID 71193378) is N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is CC(C)C(=O)NC1CC2(CCN(c3cc(N)ccn3)CC2)c2ccccc21.
What is the InChIKey of N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
The InChIKey is OGEQJYRIKXEIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-15(2)21(27)25-19-14-22(18-6-4-3-5-17(18)19)8-11-26(12-9-22)20-13-16(23)7-10-24-20/h3-7,10,13,15,19H,8-9,11-12,14H2,1-2H3,(H2,23,24)(H,25,27).
What are the key properties of N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide?
N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(4-amino-2-pyridinyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide is sourced from PubChem (CID 71193378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).