2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile

C20H17N5O — CID 56874792

IUPAC2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile
SMILESCOc1ccc2c(-c3cc(-c4cc[nH]c4)nc(N)c3C#N)cn(C)c2c1
InChIInChI=1S/C20H17N5O/c1-25-11-17(14-4-3-13(26-2)7-19(14)25)15-8-18(12-5-6-23-10-12)24-20(22)16(15)9-21/h3-8,10-11,23H,1-2H3,(H2,22,24)
InChIKeyLBODXGPVEHJOMF-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.70
Rot. Bonds3

About 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile

2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile (PubChem CID 56874792) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile
PubChem CID56874792
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile
SMILESCOc1ccc2c(-c3cc(-c4cc[nH]c4)nc(N)c3C#N)cn(C)c2c1
InChIInChI=1S/C20H17N5O/c1-25-11-17(14-4-3-13(26-2)7-19(14)25)15-8-18(12-5-6-23-10-12)24-20(22)16(15)9-21/h3-8,10-11,23H,1-2H3,(H2,22,24)
InChIKeyLBODXGPVEHJOMF-UHFFFAOYSA-N
XLogP3.70
TPSA92.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile (CID 56874792) is 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile is COc1ccc2c(-c3cc(-c4cc[nH]c4)nc(N)c3C#N)cn(C)c2c1.
What is the InChIKey of 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
The InChIKey is LBODXGPVEHJOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-25-11-17(14-4-3-13(26-2)7-19(14)25)15-8-18(12-5-6-23-10-12)24-20(22)16(15)9-21/h3-8,10-11,23H,1-2H3,(H2,22,24).
What are the key properties of 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile?
2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile has a molecular weight of 343.39 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-methoxy-1-methylindol-3-yl)-6-(1H-pyrrol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56874792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).