2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid

C24H20F3N3O4 — CID 53385203

IUPAC2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(CC(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19N3O2.C2HF3O2/c1-25-15-16(20-6-2-3-7-21(20)25)13-22(26)24-17-8-10-18(11-9-17)27-19-5-4-12-23-14-19;3-2(4,5)1(6)7/h2-12,14-15H,13H2,1H3,(H,24,26);(H,6,7)
InChIKeyYPESCMFHNKFJEX-UHFFFAOYSA-N
MW471.44 g/mol
LogP5.18
Rot. Bonds5

About 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid

2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 53385203) has the molecular formula C24H20F3N3O4 and a molecular weight of 471.44 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID53385203
Molecular FormulaC24H20F3N3O4
Molecular Weight471.44 g/mol
Exact Mass471.14
IUPAC Name2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCn1cc(CC(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H19N3O2.C2HF3O2/c1-25-15-16(20-6-2-3-7-21(20)25)13-22(26)24-17-8-10-18(11-9-17)27-19-5-4-12-23-14-19;3-2(4,5)1(6)7/h2-12,14-15H,13H2,1H3,(H,24,26);(H,6,7)
InChIKeyYPESCMFHNKFJEX-UHFFFAOYSA-N
XLogP5.18
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.44
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53385071
2-(1-benzylindol-3-yl)-N-[4-(pyridin-3-ylamino)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 53385174
3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
CID 47078833
N,1-diethyl-N-(4-pyridin-3-yloxyphenyl)indole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 53385019
N-pentyl-3-(1-pentylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)propanamide;2,2,2-trifluoroacetic acid
CID 53385129
2-(1-methylindol-3-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 71883645
2-(1-methylindol-3-yl)-N-quinolin-5-ylacetamide
CID 51055371
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
4-oxo-N-(4-phenoxyphenyl)-4-pyridin-3-ylbutanamide
CID 110425632
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid (CID 53385203) is 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid is Cn1cc(CC(=O)Nc2ccc(Oc3cccnc3)cc2)c2ccccc21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is YPESCMFHNKFJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.C2HF3O2/c1-25-15-16(20-6-2-3-7-21(20)25)13-22(26)24-17-8-10-18(11-9-17)27-19-5-4-12-23-14-19;3-2(4,5)1(6)7/h2-12,14-15H,13H2,1H3,(H,24,26);(H,6,7).
What are the key properties of 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid?
2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 471.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53385203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).