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

C19H16N4 — CID 56754367

IUPAC2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
SMILESC=Cc1cccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1
InChIInChI=1S/C19H16N4/c1-3-13-5-4-6-14(9-13)16-10-18(15-7-8-23(2)12-15)22-19(21)17(16)11-20/h3-10,12H,1H2,2H3,(H2,21,22)
InChIKeyHPGHNNHTARGOQB-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.85
Rot. Bonds3

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

2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile (PubChem CID 56754367) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
PubChem CID56754367
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
SMILESC=Cc1cccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1
InChIInChI=1S/C19H16N4/c1-3-13-5-4-6-14(9-13)16-10-18(15-7-8-23(2)12-15)22-19(21)17(16)11-20/h3-10,12H,1H2,2H3,(H2,21,22)
InChIKeyHPGHNNHTARGOQB-UHFFFAOYSA-N
XLogP3.85
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(1H-indol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
CID 56750461
2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-6-methyl-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 4632984
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-fluorophenyl)-6-methylpyridine-3-carbonitrile
CID 4632780
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-4-[3-(4-chlorophenyl)phenyl]-6-phenylpyridine-3-carbonitrile
CID 139222472
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-4-(3-chlorophenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636492

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile (CID 56754367) is 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile is C=Cc1cccc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The InChIKey is HPGHNNHTARGOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-3-13-5-4-6-14(9-13)16-10-18(15-7-8-23(2)12-15)22-19(21)17(16)11-20/h3-10,12H,1H2,2H3,(H2,21,22).
What are the key properties of 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile has a molecular weight of 300.37 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethenylphenyl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56754367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).