1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one

C22H19N3O — CID 58170694

IUPAC1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one
SMILESO=C(Cc1ccc(Nc2ccncc2)cc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3O/c26-20(14-17-15-24-22-4-2-1-3-21(17)22)13-16-5-7-18(8-6-16)25-19-9-11-23-12-10-19/h1-12,15,24H,13-14H2,(H,23,25)
InChIKeyZCXALYHPQTWQMW-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.66
Rot. Bonds6

About 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one

1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one (PubChem CID 58170694) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one
PubChem CID58170694
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one
SMILESO=C(Cc1ccc(Nc2ccncc2)cc1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H19N3O/c26-20(14-17-15-24-22-4-2-1-3-21(17)22)13-16-5-7-18(8-6-16)25-19-9-11-23-12-10-19/h1-12,15,24H,13-14H2,(H,23,25)
InChIKeyZCXALYHPQTWQMW-UHFFFAOYSA-N
XLogP4.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
N-[4-[3-(1H-indol-3-yl)propyl]phenyl]pyridazin-4-amine
CID 58170630
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(1H-indol-3-yl)-2-[4-(pyridin-4-ylamino)anilino]propanamide
CID 59555817
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
N'-(1H-indol-3-ylmethyl)pyridine-4-carbohydrazide
CID 127025469
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
ethane-1,2-diamine;N-[2-(1H-indol-3-yl)ethyl]-2-pyridin-4-ylacetamide;platinum
CID 142609872
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(pyridin-4-ylmethyl)benzene-1,4-diamine
CID 59555658
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-(1H-indol-3-yl)-2-[4-(pyridin-4-ylamino)anilino]propan-1-one
CID 59555792

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one?
The IUPAC name of 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one (CID 58170694) is 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one?
The canonical SMILES for 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one is O=C(Cc1ccc(Nc2ccncc2)cc1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one?
The InChIKey is ZCXALYHPQTWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c26-20(14-17-15-24-22-4-2-1-3-21(17)22)13-16-5-7-18(8-6-16)25-19-9-11-23-12-10-19/h1-12,15,24H,13-14H2,(H,23,25).
What are the key properties of 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one?
1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one has a molecular weight of 341.41 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-[4-(pyridin-4-ylamino)phenyl]propan-2-one is sourced from PubChem (CID 58170694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).