2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

C23H20N4O3 — CID 53329635

IUPAC2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-8-13(9-21(29-2)22(20)30-3)15-10-19(27-23(25)16(15)11-24)17-12-26-18-7-5-4-6-14(17)18/h4-10,12,26H,1-3H3,(H2,25,27)
InChIKeyYYHDHLKGXOXHNM-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.38
Rot. Bonds5

About 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 53329635) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID53329635
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C23H20N4O3/c1-28-20-8-13(9-21(29-2)22(20)30-3)15-10-19(27-23(25)16(15)11-24)17-12-26-18-7-5-4-6-14(17)18/h4-10,12,26H,1-3H3,(H2,25,27)
InChIKeyYYHDHLKGXOXHNM-UHFFFAOYSA-N
XLogP4.38
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (CID 53329635) is 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3c[nH]c4ccccc34)nc(N)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is YYHDHLKGXOXHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-28-20-8-13(9-21(29-2)22(20)30-3)15-10-19(27-23(25)16(15)11-24)17-12-26-18-7-5-4-6-14(17)18/h4-10,12,26H,1-3H3,(H2,25,27).
What are the key properties of 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 400.44 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 53329635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).