2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile

C23H23N3O — CID 5088737

IUPAC2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(CC(C)C)cc3)nc(N)c2C#N)c1
InChIInChI=1S/C23H23N3O/c1-15(2)11-16-7-9-17(10-8-16)22-13-20(21(14-24)23(25)26-22)18-5-4-6-19(12-18)27-3/h4-10,12-13,15H,11H2,1-3H3,(H2,25,26)
InChIKeyLFJPGHALOKVSCV-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.08
Rot. Bonds5

About 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile

2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile (PubChem CID 5088737) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
PubChem CID5088737
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
SMILESCOc1cccc(-c2cc(-c3ccc(CC(C)C)cc3)nc(N)c2C#N)c1
InChIInChI=1S/C23H23N3O/c1-15(2)11-16-7-9-17(10-8-16)22-13-20(21(14-24)23(25)26-22)18-5-4-6-19(12-18)27-3/h4-10,12-13,15H,11H2,1-3H3,(H2,25,26)
InChIKeyLFJPGHALOKVSCV-UHFFFAOYSA-N
XLogP5.08
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-methoxyphenyl)-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 5231001
2-amino-4-(3-bromophenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile
CID 5088555
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
2-amino-4-(3-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 5253696
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 3369926
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-(3-methoxyphenyl)pyridine-3-carbonitrile
CID 5119915
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile
CID 5088548
2-amino-6-(3-methoxyphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5120091
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile
CID 5088898
2-amino-6-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3369928
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(4-methoxyphenyl)-6-pyridin-4-ylpyridine-3-carbonitrile
CID 4636662

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile (CID 5088737) is 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile is COc1cccc(-c2cc(-c3ccc(CC(C)C)cc3)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is LFJPGHALOKVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-15(2)11-16-7-9-17(10-8-16)22-13-20(21(14-24)23(25)26-22)18-5-4-6-19(12-18)27-3/h4-10,12-13,15H,11H2,1-3H3,(H2,25,26).
What are the key properties of 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile?
2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxyphenyl)-6-[4-(2-methylpropyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 5088737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).