1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone

C22H19N3O2 — CID 86728952

IUPAC1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1
InChIInChI=1S/C22H19N3O2/c1-27-20-13-7-12-19(24-20)25-21(15-8-3-2-4-9-15)22(26)17-14-23-18-11-6-5-10-16(17)18/h2-14,21,23H,1H3,(H,24,25)
InChIKeyCKKHWILHMSLUMZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.61
Rot. Bonds6

About 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone

1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone (PubChem CID 86728952) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone
PubChem CID86728952
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1
InChIInChI=1S/C22H19N3O2/c1-27-20-13-7-12-19(24-20)25-21(15-8-3-2-4-9-15)22(26)17-14-23-18-11-6-5-10-16(17)18/h2-14,21,23H,1H3,(H,24,25)
InChIKeyCKKHWILHMSLUMZ-UHFFFAOYSA-N
XLogP4.61
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Atevirdine
CID 60848
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-Amino-5-[3-(2-methoxy-phenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethyl-benzamide
CID 16739128
2-((3,5-dimethoxyphenyl)amino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916879
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368174
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
Pyrrolo-pyrimidone, 4
CID 135874060
[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]-(5-methoxy-1H-indol-2-yl)methanone
CID 453219
1-(5-Methoxy-1h-indol-3-yl)-2-(piperidin-1-yl)ethanone
CID 44827
2-(1H-indol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide
CID 5300155

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone (CID 86728952) is 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone?
The InChIKey is CKKHWILHMSLUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-27-20-13-7-12-19(24-20)25-21(15-8-3-2-4-9-15)22(26)17-14-23-18-11-6-5-10-16(17)18/h2-14,21,23H,1H3,(H,24,25).
What are the key properties of 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone?
1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone has a molecular weight of 357.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(6-methoxy-2-pyridinyl)amino]-2-phenylethanone is sourced from PubChem (CID 86728952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).