1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile

C23H17N3O — CID 58215846

IUPAC1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile
SMILESCc1cc(C)cc(C(=O)n2c(-c3cccnc3)cc3cc(C#N)ccc32)c1
InChIInChI=1S/C23H17N3O/c1-15-8-16(2)10-20(9-15)23(27)26-21-6-5-17(13-24)11-19(21)12-22(26)18-4-3-7-25-14-18/h3-12,14H,1-2H3
InChIKeyUZHCMZOVDPPNQF-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.88
Rot. Bonds2

About 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile

1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile (PubChem CID 58215846) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile
PubChem CID58215846
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile
SMILESCc1cc(C)cc(C(=O)n2c(-c3cccnc3)cc3cc(C#N)ccc32)c1
InChIInChI=1S/C23H17N3O/c1-15-8-16(2)10-20(9-15)23(27)26-21-6-5-17(13-24)11-19(21)12-22(26)18-4-3-7-25-14-18/h3-12,14H,1-2H3
InChIKeyUZHCMZOVDPPNQF-UHFFFAOYSA-N
XLogP4.88
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile (CID 58215846) is 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile is Cc1cc(C)cc(C(=O)n2c(-c3cccnc3)cc3cc(C#N)ccc32)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile?
The InChIKey is UZHCMZOVDPPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-15-8-16(2)10-20(9-15)23(27)26-21-6-5-17(13-24)11-19(21)12-22(26)18-4-3-7-25-14-18/h3-12,14H,1-2H3.
What are the key properties of 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile?
1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile has a molecular weight of 351.41 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-2-pyridin-3-ylindole-5-carbonitrile is sourced from PubChem (CID 58215846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).