3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile

C22H18N4O — CID 137375909

IUPAC3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile
SMILESCOc1ccc(-n2cc(-c3cncc(N)c3C)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C22H18N4O/c1-14-19(11-25-12-21(14)24)20-13-26(16-4-6-17(27-2)7-5-16)22-8-3-15(10-23)9-18(20)22/h3-9,11-13H,24H2,1-2H3
InChIKeyXYHXJIAEJGGENE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.46
Rot. Bonds3

About 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile

3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile (PubChem CID 137375909) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile.

Molecular Properties

Compound Name3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile
PubChem CID137375909
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile
SMILESCOc1ccc(-n2cc(-c3cncc(N)c3C)c3cc(C#N)ccc32)cc1
InChIInChI=1S/C22H18N4O/c1-14-19(11-25-12-21(14)24)20-13-26(16-4-6-17(27-2)7-5-16)22-8-3-15(10-23)9-18(20)22/h3-9,11-13H,24H2,1-2H3
InChIKeyXYHXJIAEJGGENE-UHFFFAOYSA-N
XLogP4.46
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile?
The IUPAC name of 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile (CID 137375909) is 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile.
What is the SMILES notation for 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile?
The canonical SMILES for 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile is COc1ccc(-n2cc(-c3cncc(N)c3C)c3cc(C#N)ccc32)cc1.
What is the InChIKey of 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile?
The InChIKey is XYHXJIAEJGGENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-19(11-25-12-21(14)24)20-13-26(16-4-6-17(27-2)7-5-16)22-8-3-15(10-23)9-18(20)22/h3-9,11-13H,24H2,1-2H3.
What are the key properties of 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile?
3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-4-methyl-3-pyridinyl)-1-(4-methoxyphenyl)indole-5-carbonitrile is sourced from PubChem (CID 137375909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).