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

C25H25N3O4 — CID 42453668

IUPACN-[(1R,2R)-1'-(furan-2-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)c1ccco1)CC2
InChIInChI=1S/C25H25N3O4/c1-31-22-21(27-23(29)17-8-12-26-13-9-17)18-5-2-3-6-19(18)25(22)10-14-28(15-11-25)24(30)20-7-4-16-32-20/h2-9,12-13,16,21-22H,10-11,14-15H2,1H3,(H,27,29)/t21-,22+/m1/s1
InChIKeyLBCMIVMIKZKHSG-YADHBBJMSA-N
MW431.49 g/mol
LogP3.35
Rot. Bonds4

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

N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (PubChem CID 42453668) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
PubChem CID42453668
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC NameN-[(1R,2R)-1'-(furan-2-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)c1ccco1)CC2
InChIInChI=1S/C25H25N3O4/c1-31-22-21(27-23(29)17-8-12-26-13-9-17)18-5-2-3-6-19(18)25(22)10-14-28(15-11-25)24(30)20-7-4-16-32-20/h2-9,12-13,16,21-22H,10-11,14-15H2,1H3,(H,27,29)/t21-,22+/m1/s1
InChIKeyLBCMIVMIKZKHSG-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-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42339903
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)-2-methoxy-1'-[[1-(3-methylphenyl)imidazol-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 26350129
N-[(1R,2R)-1'-(2,5-dimethylfuran-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-3-fluorobenzamide
CID 26274622
N-[(1R,2R)-1'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 42431441
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-ethoxy-1'-(3-methylsulfanylpropyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 42190119
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-[(1S,2S)-1'-[(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-2-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]furan-2-carboxamide
CID 133132039
N-[(1S,2S)-2-hydroxy-1'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133133884
N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide (CID 42453668) is N-[(1R,2R)-1'-(furan-2-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-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-1'-(furan-2-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)c1ccco1)CC2.
What is the InChIKey of N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
The InChIKey is LBCMIVMIKZKHSG-YADHBBJMSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-22-21(27-23(29)17-8-12-26-13-9-17)18-5-2-3-6-19(18)25(22)10-14-28(15-11-25)24(30)20-7-4-16-32-20/h2-9,12-13,16,21-22H,10-11,14-15H2,1H3,(H,27,29)/t21-,22+/m1/s1.
What are the key properties of N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide?
N-[(1R,2R)-1'-(furan-2-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-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 42453668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).