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

C18H16N4O — CID 56865030

IUPAC2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C18H16N4O/c1-11-8-12(23-2)5-6-13(11)14-9-17(16-4-3-7-21-16)22-18(20)15(14)10-19/h3-9,21H,1-2H3,(H2,20,22)
InChIKeyZGCCGIDQUXXMJO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.51
Rot. Bonds3

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

2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 56865030) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID56865030
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c(C)c1
InChIInChI=1S/C18H16N4O/c1-11-8-12(23-2)5-6-13(11)14-9-17(16-4-3-7-21-16)22-18(20)15(14)10-19/h3-9,21H,1-2H3,(H2,20,22)
InChIKeyZGCCGIDQUXXMJO-UHFFFAOYSA-N
XLogP3.51
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56867360
2-amino-6-(1,3-dimethylpyrazol-4-yl)-4-(4-methoxy-2-methylphenyl)pyridine-3-carbonitrile
CID 56878977
2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56864470
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-6-(4-methoxyphenyl)-4-pyren-1-ylpyridine-3-carbonitrile
CID 86573426
2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56863641
2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide
CID 56866317
2-amino-4-(2,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile
CID 166594866
2-amino-6-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 4636256
2-amino-4-(2,5-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135496405
2-amino-4-(2,6-dichlorophenyl)-6-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 3557233
2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3371344

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 56865030) is 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c(C)c1.
What is the InChIKey of 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is ZGCCGIDQUXXMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-11-8-12(23-2)5-6-13(11)14-9-17(16-4-3-7-21-16)22-18(20)15(14)10-19/h3-9,21H,1-2H3,(H2,20,22).
What are the key properties of 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56865030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).