N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide

C21H25N3O2 — CID 118745635

IUPACN-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC2(CCN(CCO)CC2)c2ccccc21)c1ccncc1
InChIInChI=1S/C21H25N3O2/c25-14-13-24-11-7-21(8-12-24)15-19(17-3-1-2-4-18(17)21)23-20(26)16-5-9-22-10-6-16/h1-6,9-10,19,25H,7-8,11-15H2,(H,23,26)
InChIKeyQFBJISRKIOKZPD-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.28
Rot. Bonds4

About N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide

N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (PubChem CID 118745635) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
PubChem CID118745635
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC2(CCN(CCO)CC2)c2ccccc21)c1ccncc1
InChIInChI=1S/C21H25N3O2/c25-14-13-24-11-7-21(8-12-24)15-19(17-3-1-2-4-18(17)21)23-20(26)16-5-9-22-10-6-16/h1-6,9-10,19,25H,7-8,11-15H2,(H,23,26)
InChIKeyQFBJISRKIOKZPD-UHFFFAOYSA-N
XLogP2.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (CID 118745635) is N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide is O=C(NC1CC2(CCN(CCO)CC2)c2ccccc21)c1ccncc1.
What is the InChIKey of N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The InChIKey is QFBJISRKIOKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-14-13-24-11-7-21(8-12-24)15-19(17-3-1-2-4-18(17)21)23-20(26)16-5-9-22-10-6-16/h1-6,9-10,19,25H,7-8,11-15H2,(H,23,26).
What are the key properties of N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118745635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).