N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

C30H30N4O3 — CID 133118576

IUPACN-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
SMILESCCO[C@@H]1[C@@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2
InChIInChI=1S/C30H30N4O3/c1-2-37-27-26(33-28(35)22-6-5-14-31-19-22)23-7-3-4-8-24(23)30(27)12-16-34(17-13-30)29(36)21-9-10-25-20(18-21)11-15-32-25/h3-11,14-15,18-19,26-27,32H,2,12-13,16-17H2,1H3,(H,33,35)/t26-,27+/m0/s1
InChIKeyWBSWQWUNAMHFIC-RRPNLBNLSA-N
MW494.60 g/mol
LogP4.63
Rot. Bonds5

About N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide

N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (PubChem CID 133118576) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
PubChem CID133118576
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC NameN-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
SMILESCCO[C@@H]1[C@@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2
InChIInChI=1S/C30H30N4O3/c1-2-37-27-26(33-28(35)22-6-5-14-31-19-22)23-7-3-4-8-24(23)30(27)12-16-34(17-13-30)29(36)21-9-10-25-20(18-21)11-15-32-25/h3-11,14-15,18-19,26-27,32H,2,12-13,16-17H2,1H3,(H,33,35)/t26-,27+/m0/s1
InChIKeyWBSWQWUNAMHFIC-RRPNLBNLSA-N
XLogP4.63
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-ethoxy-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42248211
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'-[(2S)-2-hydroxy-2-phenylacetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide
CID 42162636
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-ethoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-4-methylpyridine-3-carboxamide
CID 56914894
N-[(1R,2R)-1'-(furan-3-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42339903
N-[(1S,2S)-1'-(4-methoxybenzoyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 133135134
N-[(1R,2R)-1'-(furan-2-carbonyl)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 42453668
N-[(1S,2S)-1'-(1,3-benzodioxole-5-carbonyl)-2-(2-methoxyethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylpropanamide
CID 133126931
N-[(1R,2R)-2-phenylmethoxy-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42274264
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide (CID 133118576) is N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is CCO[C@@H]1[C@@H](NC(=O)c2cccnc2)c2ccccc2C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2.
What is the InChIKey of N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
The InChIKey is WBSWQWUNAMHFIC-RRPNLBNLSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-2-37-27-26(33-28(35)22-6-5-14-31-19-22)23-7-3-4-8-24(23)30(27)12-16-34(17-13-30)29(36)21-9-10-25-20(18-21)11-15-32-25/h3-11,14-15,18-19,26-27,32H,2,12-13,16-17H2,1H3,(H,33,35)/t26-,27+/m0/s1.
What are the key properties of N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide?
N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-ethoxy-1'-(1H-indole-5-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133118576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).