1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid

C23H24F3N3O4 — CID 155830759

IUPAC1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CC2(CCCC2)c2cc(C(=O)NCc3cccnc3)ccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N3O2.C2HF3O2/c1-15(25)24-14-21(8-2-3-9-21)18-11-17(6-7-19(18)24)20(26)23-13-16-5-4-10-22-12-16;3-2(4,5)1(6)7/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H,23,26);(H,6,7)
InChIKeyDPJCHQNQYBEPFI-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.82
Rot. Bonds3

About 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid

1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155830759) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155830759
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CC2(CCCC2)c2cc(C(=O)NCc3cccnc3)ccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C21H23N3O2.C2HF3O2/c1-15(25)24-14-21(8-2-3-9-21)18-11-17(6-7-19(18)24)20(26)23-13-16-5-4-10-22-12-16;3-2(4,5)1(6)7/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H,23,26);(H,6,7)
InChIKeyDPJCHQNQYBEPFI-UHFFFAOYSA-N
XLogP3.82
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
3-[(4-ethylphenyl)sulfonylamino]-4-piperazin-1-yl-N-(pyridin-3-ylmethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146059279
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
1'-methyl-1-(pyridin-3-ylmethyl)-N-(thiophen-2-ylmethyl)spiro[2H-indole-3,3'-piperidine]-5-carboxamide
CID 134809739
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
CID 52986188
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 51192594
N-(pyridin-3-ylmethyl)spiro[2H-indole-3,4'-oxane]-1-carboxamide
CID 167833073
1-(benzenesulfinyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 143820896
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
5-(4-acetylpiperazine-1-carbonyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109104768
2-hydroxy-5-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 71429790

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid (CID 155830759) is 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid is CC(=O)N1CC2(CCCC2)c2cc(C(=O)NCc3cccnc3)ccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DPJCHQNQYBEPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2.C2HF3O2/c1-15(25)24-14-21(8-2-3-9-21)18-11-17(6-7-19(18)24)20(26)23-13-16-5-4-10-22-12-16;3-2(4,5)1(6)7/h4-7,10-12H,2-3,8-9,13-14H2,1H3,(H,23,26);(H,6,7).
What are the key properties of 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid?
1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 463.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(pyridin-3-ylmethyl)spiro[2H-indole-3,1'-cyclopentane]-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).