2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile

C17H14N4 — CID 3355365

IUPAC2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCn1cccc1-c1cc(-c2ccccc2)nc(N)c1C#N
InChIInChI=1S/C17H14N4/c1-21-9-5-8-16(21)13-10-15(12-6-3-2-4-7-12)20-17(19)14(13)11-18/h2-10H,1H3,(H2,19,20)
InChIKeyMRICSKKXUHABEX-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.21
Rot. Bonds2

About 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile

2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile (PubChem CID 3355365) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile
PubChem CID3355365
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCn1cccc1-c1cc(-c2ccccc2)nc(N)c1C#N
InChIInChI=1S/C17H14N4/c1-21-9-5-8-16(21)13-10-15(12-6-3-2-4-7-12)20-17(19)14(13)11-18/h2-10H,1H3,(H2,19,20)
InChIKeyMRICSKKXUHABEX-UHFFFAOYSA-N
XLogP3.21
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile (CID 3355365) is 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile is Cn1cccc1-c1cc(-c2ccccc2)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is MRICSKKXUHABEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-21-9-5-8-16(21)13-10-15(12-6-3-2-4-7-12)20-17(19)14(13)11-18/h2-10H,1H3,(H2,19,20).
What are the key properties of 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile?
2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 274.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 3355365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).