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

C23H19ClN4O3 — CID 53329639

IUPAC2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c[nH]c4ccc(Cl)cc34)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C23H19ClN4O3/c1-29-20-7-5-13(21(30-2)22(20)31-3)14-9-19(28-23(26)16(14)10-25)17-11-27-18-6-4-12(24)8-15(17)18/h4-9,11,27H,1-3H3,(H2,26,28)
InChIKeyITVRJHVEHAHELI-UHFFFAOYSA-N
MW434.88 g/mol
LogP5.03
Rot. Bonds5

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

2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 53329639) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID53329639
Molecular FormulaC23H19ClN4O3
Molecular Weight434.88 g/mol
Exact Mass434.11
IUPAC Name2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3c[nH]c4ccc(Cl)cc34)nc(N)c2C#N)c(OC)c1OC
InChIInChI=1S/C23H19ClN4O3/c1-29-20-7-5-13(21(30-2)22(20)31-3)14-9-19(28-23(26)16(14)10-25)17-11-27-18-6-4-12(24)8-15(17)18/h4-9,11,27H,1-3H3,(H2,26,28)
InChIKeyITVRJHVEHAHELI-UHFFFAOYSA-N
XLogP5.03
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.88
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53328037
2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329635
2-Amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329979
2-Amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53330148
6-chloro-1-(2,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 168294634
(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
CID 118731373
2-amino-6-(1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329637
2-amino-6-(5-chloro-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329638
2-amino-6-(6-fluoro-1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329803
2-amino-6-(6-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329805
2-amino-4-(2,4-difluorophenyl)-6-(5,6,7-trimethoxy-1H-indol-3-yl)pyridine-3-carbonitrile
CID 53329807
2-amino-4-(3,4-difluorophenyl)-6-(5,6,7-trimethoxy-1H-indol-3-yl)pyridine-3-carbonitrile
CID 53329976

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile (CID 53329639) is 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3c[nH]c4ccc(Cl)cc34)nc(N)c2C#N)c(OC)c1OC.
What is the InChIKey of 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is ITVRJHVEHAHELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-29-20-7-5-13(21(30-2)22(20)31-3)14-9-19(28-23(26)16(14)10-25)17-11-27-18-6-4-12(24)8-15(17)18/h4-9,11,27H,1-3H3,(H2,26,28).
What are the key properties of 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 434.88 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 53329639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).