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

C18H14BrN3S — CID 5208158

IUPAC2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cc(Br)cs1
InChIInChI=1S/C18H14BrN3S/c1-2-13-16(15-8-12(19)10-23-15)14(9-20)18(21)22-17(13)11-6-4-3-5-7-11/h3-8,10H,2H2,1H3,(H2,21,22)
InChIKeyXCPGQWXOZWDALQ-UHFFFAOYSA-N
MW384.30 g/mol
LogP5.26
Rot. Bonds3

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

2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile (PubChem CID 5208158) has the molecular formula C18H14BrN3S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
PubChem CID5208158
Molecular FormulaC18H14BrN3S
Molecular Weight384.30 g/mol
Exact Mass383.01
IUPAC Name2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cc(Br)cs1
InChIInChI=1S/C18H14BrN3S/c1-2-13-16(15-8-12(19)10-23-15)14(9-20)18(21)22-17(13)11-6-4-3-5-7-11/h3-8,10H,2H2,1H3,(H2,21,22)
InChIKeyXCPGQWXOZWDALQ-UHFFFAOYSA-N
XLogP5.26
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.30
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-ethyl-4-(3-methylthiophen-2-yl)-6-phenylpyridine-3-carbonitrile
CID 5208157
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
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-6-(4-bromophenyl)-4-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 3341400
2-amino-4-(4-bromothiophen-2-yl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230853
2-amino-4-(4-bromothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-[4-[2-methoxyethyl(methyl)amino]phenyl]pyridine-3-carbonitrile
CID 11273212
2-amino-4-(4-bromothiophen-2-yl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285102
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
2-amino-4-(4-bromophenyl)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 5172784
2-amino-4-(5-bromo-2-fluorophenyl)-6-(3-chlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3326018

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile (CID 5208158) is 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile is CCc1c(-c2ccccc2)nc(N)c(C#N)c1-c1cc(Br)cs1.
What is the InChIKey of 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is XCPGQWXOZWDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3S/c1-2-13-16(15-8-12(19)10-23-15)14(9-20)18(21)22-17(13)11-6-4-3-5-7-11/h3-8,10H,2H2,1H3,(H2,21,22).
What are the key properties of 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile?
2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 384.30 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromothiophen-2-yl)-5-ethyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 5208158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).