2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile

C19H15N5 — CID 56750461

IUPAC2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
SMILESCn1ccc(-c2cc(-c3c[nH]c4ccccc34)c(C#N)c(N)n2)c1
InChIInChI=1S/C19H15N5/c1-24-7-6-12(11-24)18-8-14(15(9-20)19(21)23-18)16-10-22-17-5-3-2-4-13(16)17/h2-8,10-11,22H,1H3,(H2,21,23)
InChIKeyVYELSSACVYIVFT-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.69
Rot. Bonds2

About 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile

2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile (PubChem CID 56750461) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
PubChem CID56750461
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
SMILESCn1ccc(-c2cc(-c3c[nH]c4ccccc34)c(C#N)c(N)n2)c1
InChIInChI=1S/C19H15N5/c1-24-7-6-12(11-24)18-8-14(15(9-20)19(21)23-18)16-10-22-17-5-3-2-4-13(16)17/h2-8,10-11,22H,1H3,(H2,21,23)
InChIKeyVYELSSACVYIVFT-UHFFFAOYSA-N
XLogP3.69
TPSA83.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile (CID 56750461) is 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile is Cn1ccc(-c2cc(-c3c[nH]c4ccccc34)c(C#N)c(N)n2)c1.
What is the InChIKey of 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The InChIKey is VYELSSACVYIVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-24-7-6-12(11-24)18-8-14(15(9-20)19(21)23-18)16-10-22-17-5-3-2-4-13(16)17/h2-8,10-11,22H,1H3,(H2,21,23).
What are the key properties of 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile has a molecular weight of 313.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56750461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).