2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile

C17H13N3OS — CID 44817566

IUPAC2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccsc3)nc(N)c2C#N)cc1
InChIInChI=1S/C17H13N3OS/c1-21-13-4-2-11(3-5-13)14-8-16(12-6-7-22-10-12)20-17(19)15(14)9-18/h2-8,10H,1H3,(H2,19,20)
InChIKeyUOILRFFTFXNNKL-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.94
Rot. Bonds3

About 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile

2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile (PubChem CID 44817566) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
PubChem CID44817566
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccsc3)nc(N)c2C#N)cc1
InChIInChI=1S/C17H13N3OS/c1-21-13-4-2-11(3-5-13)14-8-16(12-6-7-22-10-12)20-17(19)15(14)9-18/h2-8,10H,1H3,(H2,19,20)
InChIKeyUOILRFFTFXNNKL-UHFFFAOYSA-N
XLogP3.94
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-4-(4-methylphenyl)-6-(2-thienyl)nicotinonitrile
CID 698201
2-Amino-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
CID 748928
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 973153
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-(2-thienyl)nicotinonitrile
CID 1315772
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-methoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255849
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 53324508
3,5-Pyridinedicarbonitrile, 2-amino-6-(((2-(4-chlorophenyl)-4-thiazolyl)methyl)thio)-4-(4-methoxyphenyl)-
CID 122188742
2-Amino-6-[[5-chloro-2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 122188745
2-Amino-4-(4-methoxyphenyl)-6-(1,3-thiazol-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 122188747
2-Amino-4-(4-methoxyphenyl)-6-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 122188748
2-Amino-4-(4-methoxyphenyl)-6-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 122188749
2-Amino-6-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 122188750

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile (CID 44817566) is 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile is COc1ccc(-c2cc(-c3ccsc3)nc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
The InChIKey is UOILRFFTFXNNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-21-13-4-2-11(3-5-13)14-8-16(12-6-7-22-10-12)20-17(19)15(14)9-18/h2-8,10H,1H3,(H2,19,20).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile?
2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile has a molecular weight of 307.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-6-thiophen-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 44817566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).