6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile

C23H20N4O — CID 68506103

IUPAC6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCCOc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-3-28-23-21(16-7-5-4-6-8-16)22(17(13-24)14-26-23)27-19-9-10-20-18(15(19)2)11-12-25-20/h4-12,14,25H,3H2,1-2H3,(H,26,27)
InChIKeyCWBNIWDBWLFCAF-UHFFFAOYSA-N
MW368.44 g/mol
LogP5.55
Rot. Bonds5

About 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile

6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile (PubChem CID 68506103) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile
PubChem CID68506103
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile
SMILESCCOc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1-c1ccccc1
InChIInChI=1S/C23H20N4O/c1-3-28-23-21(16-7-5-4-6-8-16)22(17(13-24)14-26-23)27-19-9-10-20-18(15(19)2)11-12-25-20/h4-12,14,25H,3H2,1-2H3,(H,26,27)
InChIKeyCWBNIWDBWLFCAF-UHFFFAOYSA-N
XLogP5.55
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile (CID 68506103) is 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile is CCOc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1-c1ccccc1.
What is the InChIKey of 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile?
The InChIKey is CWBNIWDBWLFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-3-28-23-21(16-7-5-4-6-8-16)22(17(13-24)14-26-23)27-19-9-10-20-18(15(19)2)11-12-25-20/h4-12,14,25H,3H2,1-2H3,(H,26,27).
What are the key properties of 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile?
6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile has a molecular weight of 368.44 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[(4-methyl-1H-indol-5-yl)amino]-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 68506103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).