6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile

C14H12BrN3O2 — CID 84609752

IUPAC6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(Br)cc1-c1cc(N)n(C)c(=O)c1C#N
InChIInChI=1S/C14H12BrN3O2/c1-18-13(17)6-9(11(7-16)14(18)19)10-5-8(15)3-4-12(10)20-2/h3-6H,17H2,1-2H3
InChIKeyDTMGZWBGDZSROS-UHFFFAOYSA-N
MW334.17 g/mol
LogP2.28
Rot. Bonds2

About 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile

6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 84609752) has the molecular formula C14H12BrN3O2 and a molecular weight of 334.17 g/mol. Its IUPAC name is 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile
PubChem CID84609752
Molecular FormulaC14H12BrN3O2
Molecular Weight334.17 g/mol
Exact Mass333.01
IUPAC Name6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(Br)cc1-c1cc(N)n(C)c(=O)c1C#N
InChIInChI=1S/C14H12BrN3O2/c1-18-13(17)6-9(11(7-16)14(18)19)10-5-8(15)3-4-12(10)20-2/h3-6H,17H2,1-2H3
InChIKeyDTMGZWBGDZSROS-UHFFFAOYSA-N
XLogP2.28
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dibromophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 24573477
2-amino-4-(5-bromo-2-methoxyphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5259286
4-(4-bromo-2-chlorophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 51300671
6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 139215624
3-(5-bromo-2-methoxyphenyl)-1,5-dimethyl-1,2,4-triazole
CID 82489434
2-amino-6-bromo-3-methoxybenzonitrile
CID 82013372
1,2-diamino-4-(2,5-dimethoxyphenyl)-6-oxopyridine-3,5-dicarbonitrile
CID 3734773
5-(5-bromo-2-methoxyphenyl)-1-methylpyrrole-2-carboxylic acid
CID 82095064
4-(2-bromo-4-methylphenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 24605051
1-[[3-(5-bromo-2-methoxyphenyl)pyrazol-1-yl]-chloromethoxy]ethyl-trimethylsilane
CID 141143114
5-(5-bromo-2-methoxyphenyl)-2-cyclopentyl-3-methylimidazol-4-amine
CID 62220801
1-(5-bromo-2-methoxyphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 79874877

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile (CID 84609752) is 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(Br)cc1-c1cc(N)n(C)c(=O)c1C#N.
What is the InChIKey of 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is DTMGZWBGDZSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2/c1-18-13(17)6-9(11(7-16)14(18)19)10-5-8(15)3-4-12(10)20-2/h3-6H,17H2,1-2H3.
What are the key properties of 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile?
6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 334.17 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 84609752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).