2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile

C19H17N3S — CID 5208157

IUPAC2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1sccc1C
InChIInChI=1S/C19H17N3S/c1-3-14-16(18-12(2)9-10-23-18)15(11-20)19(21)22-17(14)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3,(H2,21,22)
InChIKeyIWGOCWBXHCUPIZ-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.80
Rot. Bonds3

About 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile

2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile (PubChem CID 5208157) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
PubChem CID5208157
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1sccc1C
InChIInChI=1S/C19H17N3S/c1-3-14-16(18-12(2)9-10-23-18)15(11-20)19(21)22-17(14)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3,(H2,21,22)
InChIKeyIWGOCWBXHCUPIZ-UHFFFAOYSA-N
XLogP4.80
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 5208158
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-5-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3400568
2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 856305
2-amino-4-(3-methylthiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5153636
2-amino-6-(2,4-dichlorophenyl)-5-methyl-4-(3-methylthiophen-2-yl)pyridine-3-carbonitrile
CID 3339406
5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine
CID 104846927
2-amino-4-(3-methylthiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285100
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
5-amino-2-methyl-6-phenylpyridine-3,4-dicarbonitrile
CID 71323044
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile (CID 5208157) is 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile is CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1sccc1C.
What is the InChIKey of 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile?
The InChIKey is IWGOCWBXHCUPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-3-14-16(18-12(2)9-10-23-18)15(11-20)19(21)22-17(14)13-7-5-4-6-8-13/h4-10H,3H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile?
2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile has a molecular weight of 319.43 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 5208157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).