N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide

C22H27N3O2 — CID 56914894

IUPACN-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2cnccc2C)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H27N3O2/c1-3-27-20-19(25-21(26)17-14-24-11-8-15(17)2)16-6-4-5-7-18(16)22(20)9-12-23-13-10-22/h4-8,11,14,19-20,23H,3,9-10,12-13H2,1-2H3,(H,25,26)/t19-,20+/m1/s1
InChIKeyMDXSMBHCAWWCQL-UXHICEINSA-N
MW365.48 g/mol
LogP2.90
Rot. Bonds4

About N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide

N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide (PubChem CID 56914894) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
PubChem CID56914894
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
SMILESCCO[C@H]1[C@H](NC(=O)c2cnccc2C)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H27N3O2/c1-3-27-20-19(25-21(26)17-14-24-11-8-15(17)2)16-6-4-5-7-18(16)22(20)9-12-23-13-10-22/h4-8,11,14,19-20,23H,3,9-10,12-13H2,1-2H3,(H,25,26)/t19-,20+/m1/s1
InChIKeyMDXSMBHCAWWCQL-UXHICEINSA-N
XLogP2.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide (CID 56914894) is N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide is CCO[C@H]1[C@H](NC(=O)c2cnccc2C)c2ccccc2C12CCNCC2.
What is the InChIKey of N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is MDXSMBHCAWWCQL-UXHICEINSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-27-20-19(25-21(26)17-14-24-11-8-15(17)2)16-6-4-5-7-18(16)22(20)9-12-23-13-10-22/h4-8,11,14,19-20,23H,3,9-10,12-13H2,1-2H3,(H,25,26)/t19-,20+/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide?
N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 56914894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).