2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile

C18H20BrN3O — CID 4635175

IUPAC2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccc(OC)c(Br)c2)c1CC
InChIInChI=1S/C18H20BrN3O/c1-4-6-15-12(5-2)17(13(10-20)18(21)22-15)11-7-8-16(23-3)14(19)9-11/h7-9H,4-6H2,1-3H3,(H2,21,22)
InChIKeyVVXKTSZQIUDESR-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.49
Rot. Bonds5

About 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile

2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile (PubChem CID 4635175) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile
PubChem CID4635175
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC Name2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile
SMILESCCCc1nc(N)c(C#N)c(-c2ccc(OC)c(Br)c2)c1CC
InChIInChI=1S/C18H20BrN3O/c1-4-6-15-12(5-2)17(13(10-20)18(21)22-15)11-7-8-16(23-3)14(19)9-11/h7-9H,4-6H2,1-3H3,(H2,21,22)
InChIKeyVVXKTSZQIUDESR-UHFFFAOYSA-N
XLogP4.49
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-ethyl-4-(4-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634975
2-amino-5-ethyl-4-(2-methoxyphenyl)-6-propylpyridine-3-carbonitrile
CID 748947
2-amino-4-[4-(dimethylamino)phenyl]-5-ethyl-6-propylpyridine-3-carbonitrile
CID 4634985
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796
2-amino-5-ethyl-4-(2-methylphenyl)-6-propylpyridine-3-carbonitrile
CID 4634977
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile
CID 3379851
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-ethoxyphenyl)pyridine-3-carbonitrile
CID 5241528
2-amino-6-ethoxy-4-(4-ethoxy-3-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 8615264
2-amino-4-(3-bromo-4-methoxyphenyl)-6-(4-fluorophenyl)pyridine-3-carbonitrile
CID 3360582
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile (CID 4635175) is 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile is CCCc1nc(N)c(C#N)c(-c2ccc(OC)c(Br)c2)c1CC.
What is the InChIKey of 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile?
The InChIKey is VVXKTSZQIUDESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-4-6-15-12(5-2)17(13(10-20)18(21)22-15)11-7-8-16(23-3)14(19)9-11/h7-9H,4-6H2,1-3H3,(H2,21,22).
What are the key properties of 2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile?
2-amino-4-(3-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile has a molecular weight of 374.28 g/mol, XLogP of 4.49, 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-bromo-4-methoxyphenyl)-5-ethyl-6-propylpyridine-3-carbonitrile is sourced from PubChem (CID 4635175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).