N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide

C25H25N3O4 — CID 42339903

IUPACN-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C25H25N3O4/c1-31-22-21(27-23(29)17-6-11-26-12-7-17)19-4-2-3-5-20(19)25(22)9-13-28(14-10-25)24(30)18-8-15-32-16-18/h2-8,11-12,15-16,21-22H,9-10,13-14H2,1H3,(H,27,29)/t21-,22+/m1/s1
InChIKeyXKSYCERBVCKPEU-YADHBBJMSA-N
MW431.49 g/mol
LogP3.35
Rot. Bonds4

About N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide

N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (PubChem CID 42339903) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
PubChem CID42339903
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
SMILESCO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)c1ccoc1)CC2
InChIInChI=1S/C25H25N3O4/c1-31-22-21(27-23(29)17-6-11-26-12-7-17)19-4-2-3-5-20(19)25(22)9-13-28(14-10-25)24(30)18-8-15-32-16-18/h2-8,11-12,15-16,21-22H,9-10,13-14H2,1H3,(H,27,29)/t21-,22+/m1/s1
InChIKeyXKSYCERBVCKPEU-YADHBBJMSA-N
XLogP3.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42453668
N-[(1R,2R)-1'-(3,5-difluorobenzoyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42167159
N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide
CID 26274622
2-methoxy-N-[(1R,2R)-2-methoxy-1'-(6-oxo-1H-pyridine-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 42190855
N-[(1R,2R)-2-methoxy-1'-(3-methylbenzoyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenylacetamide
CID 42247970
4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133124703
N-[(1R,2R)-1'-(cyclopentene-1-carbonyl)-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248559
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
N-[(1R,2R)-2-methoxy-1'-(1H-pyrazol-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 126462847
N-[(1R,2R)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-6-methylpyridine-3-carboxamide;dihydrochloride
CID 154895204
N-[(1S,2S)-1'-(isoquinolin-5-ylmethyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]thiophene-3-carboxamide
CID 133114051
N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 133118576

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (CID 42339903) is N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide is CO[C@H]1[C@H](NC(=O)c2ccncc2)c2ccccc2C12CCN(C(=O)c1ccoc1)CC2.
What is the InChIKey of N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The InChIKey is XKSYCERBVCKPEU-YADHBBJMSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-22-21(27-23(29)17-6-11-26-12-7-17)19-4-2-3-5-20(19)25(22)9-13-28(14-10-25)24(30)18-8-15-32-16-18/h2-8,11-12,15-16,21-22H,9-10,13-14H2,1H3,(H,27,29)/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 42339903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).