1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid

C25H22F3N3O4 — CID 53385071

IUPAC1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCn1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C23H21N3O2.C2HF3O2/c1-2-14-26-16-21(20-7-3-4-8-22(20)26)23(27)25-17-9-11-18(12-10-17)28-19-6-5-13-24-15-19;3-2(4,5)1(6)7/h3-13,15-16H,2,14H2,1H3,(H,25,27);(H,6,7)
InChIKeyCYSATWDYPBQYOD-UHFFFAOYSA-N
MW485.46 g/mol
LogP6.12
Rot. Bonds6

About 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid

1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 53385071) has the molecular formula C25H22F3N3O4 and a molecular weight of 485.46 g/mol. Its IUPAC name is 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID53385071
Molecular FormulaC25H22F3N3O4
Molecular Weight485.46 g/mol
Exact Mass485.16
IUPAC Name1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCCn1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C23H21N3O2.C2HF3O2/c1-2-14-26-16-21(20-7-3-4-8-22(20)26)23(27)25-17-9-11-18(12-10-17)28-19-6-5-13-24-15-19;3-2(4,5)1(6)7/h3-13,15-16H,2,14H2,1H3,(H,25,27);(H,6,7)
InChIKeyCYSATWDYPBQYOD-UHFFFAOYSA-N
XLogP6.12
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.46
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid
CID 53385203
N,1-diethyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53385019
1-(2-methoxyethyl)-N-pyridin-3-ylindole-3-carboxamide
CID 71701698
N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 53385129
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
N-(4-methoxyphenyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 11523434
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
2-(1-benzylindol-3-yl)-N-[4-(pyridin-3-ylamino)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 53385174
1-ethyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162930
1-methyl-N-[4-(propanoylamino)phenyl]indole-3-carboxamide
CID 47068134
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-benzylindole-3-carboxamide
CID 55564494

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 53385071) is 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid is CCCn1cc(C(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CYSATWDYPBQYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2.C2HF3O2/c1-2-14-26-16-21(20-7-3-4-8-22(20)26)23(27)25-17-9-11-18(12-10-17)28-19-6-5-13-24-15-19;3-2(4,5)1(6)7/h3-13,15-16H,2,14H2,1H3,(H,25,27);(H,6,7).
What are the key properties of 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid?
1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 485.46 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53385071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).