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

C24H22N4O3 — CID 53329979

IUPAC2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3cn(C)c4ccccc34)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C24H22N4O3/c1-28-13-18(15-7-5-6-8-20(15)28)19-11-16(17(12-25)24(26)27-19)14-9-21(29-2)23(31-4)22(10-14)30-3/h5-11,13H,1-4H3,(H2,26,27)
InChIKeyCXUKWGFDXKSVRS-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.39
Rot. Bonds5

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

2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 53329979) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID53329979
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3cn(C)c4ccccc34)nc(N)c2C#N)cc(OC)c1OC
InChIInChI=1S/C24H22N4O3/c1-28-13-18(15-7-5-6-8-20(15)28)19-11-16(17(12-25)24(26)27-19)14-9-21(29-2)23(31-4)22(10-14)30-3/h5-11,13H,1-4H3,(H2,26,27)
InChIKeyCXUKWGFDXKSVRS-UHFFFAOYSA-N
XLogP4.39
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
7-[(3,4,5-Trimethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 456183
1-Methyl-5-[1-(3,4,5-trimethoxyphenyl)ethyl]indole
CID 52914800
1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indole-3-carbonitrile
CID 145980793
(NE)-N-[[1-methyl-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]indol-3-yl]methylidene]hydroxylamine
CID 145988046
2-amino-6-(5-fluoro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53328037
2-Amino-4-(3-bromo-4,5-dimethoxyphenyl)-6-(1-methylindol-3-yl)pyridine-3-carbonitrile
CID 53328038
2-amino-6-(1H-indol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329635
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-6-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 53329636
2-amino-6-(5-chloro-1H-indol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53329639
2-amino-4-(3-bromo-4,5-dimethoxyphenyl)-6-(5-fluoro-1H-indol-3-yl)pyridine-3-carbonitrile
CID 53329802
2-Amino-6-(5-fluoro-1-methylindol-3-yl)-4-(2,3,4-trimethoxyphenyl)pyridine-3-carbonitrile
CID 53330148

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (CID 53329979) is 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3cn(C)c4ccccc34)nc(N)c2C#N)cc(OC)c1OC.
What is the InChIKey of 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is CXUKWGFDXKSVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-28-13-18(15-7-5-6-8-20(15)28)19-11-16(17(12-25)24(26)27-19)14-9-21(29-2)23(31-4)22(10-14)30-3/h5-11,13H,1-4H3,(H2,26,27).
What are the key properties of 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 414.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-methylindol-3-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 53329979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).