2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

C19H16N4O — CID 56864470

IUPAC2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESC=CCOc1ccccc1-c1cc(-c2ccc[nH]2)nc(N)c1C#N
InChIInChI=1S/C19H16N4O/c1-2-10-24-18-8-4-3-6-13(18)14-11-17(16-7-5-9-22-16)23-19(21)15(14)12-20/h2-9,11,22H,1,10H2,(H2,21,23)
InChIKeyPZXWMNHJXCQFGL-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.76
Rot. Bonds5

About 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile

2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (PubChem CID 56864470) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
PubChem CID56864470
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
SMILESC=CCOc1ccccc1-c1cc(-c2ccc[nH]2)nc(N)c1C#N
InChIInChI=1S/C19H16N4O/c1-2-10-24-18-8-4-3-6-13(18)14-11-17(16-7-5-9-22-16)23-19(21)15(14)12-20/h2-9,11,22H,1,10H2,(H2,21,23)
InChIKeyPZXWMNHJXCQFGL-UHFFFAOYSA-N
XLogP3.76
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(4-methoxy-2-methylphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56865030
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-4-(2-ethoxyphenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3371240
2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56863641
2-amino-4-(2-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231002
2-[3-[2-amino-3-cyano-6-(1H-pyrrol-2-yl)-4-pyridinyl]-2-methylindol-1-yl]acetamide
CID 56866317
2-amino-6-(2,4-dimethylphenyl)-4-(2-ethoxyphenyl)pyridine-3-carbonitrile
CID 3464758
5-amino-3-(2-prop-2-enoxyphenyl)-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
CID 56756071
2,4-diamino-6-(5-chloro-2-prop-2-enoxyphenyl)pyrimidine-5-carbonitrile
CID 169397431
2-amino-6-(4-nitrophenyl)-4-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 5209410
2-amino-6-(3-fluorophenyl)-4-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5118237
2-amino-6-tert-butyl-4-[2-(2-hydroxyethoxy)phenyl]pyridine-3-carbonitrile
CID 56876842

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile (CID 56864470) is 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is C=CCOc1ccccc1-c1cc(-c2ccc[nH]2)nc(N)c1C#N.
What is the InChIKey of 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
The InChIKey is PZXWMNHJXCQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-10-24-18-8-4-3-6-13(18)14-11-17(16-7-5-9-22-16)23-19(21)15(14)12-20/h2-9,11,22H,1,10H2,(H2,21,23).
What are the key properties of 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile?
2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile has a molecular weight of 316.36 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-prop-2-enoxyphenyl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56864470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).