6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile

C16H16BrN3 — CID 63482773

IUPAC6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(-c2ccc(Br)cc2)c(C)cc1C#N
InChIInChI=1S/C16H16BrN3/c1-3-8-19-16-13(10-18)9-11(2)15(20-16)12-4-6-14(17)7-5-12/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyXJAICHWYJUIAQQ-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.51
Rot. Bonds4

About 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile

6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile (PubChem CID 63482773) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile
PubChem CID63482773
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile
SMILESCCCNc1nc(-c2ccc(Br)cc2)c(C)cc1C#N
InChIInChI=1S/C16H16BrN3/c1-3-8-19-16-13(10-18)9-11(2)15(20-16)12-4-6-14(17)7-5-12/h4-7,9H,3,8H2,1-2H3,(H,19,20)
InChIKeyXJAICHWYJUIAQQ-UHFFFAOYSA-N
XLogP4.51
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62198237
6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile
CID 107355274
2-(cyclopropylamino)-5-methyl-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 82122216
2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486623
4-bromo-2-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 107801746
6-(3-fluorophenyl)-2-(propylamino)pyridine-3-carbonitrile
CID 62197922
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66304355
4-(4-methylphenyl)-2-methylsulfanyl-6-(propylamino)pyrimidine-5-carbonitrile
CID 7747033
2-(dimethylamino)-6-(4-ethylphenyl)-5-methylpyridine-3-carbonitrile
CID 82122645
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
3-(3-bromophenyl)-5,6-dimethyl-N-propylpyrazin-2-amine
CID 115504055

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile (CID 63482773) is 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile is CCCNc1nc(-c2ccc(Br)cc2)c(C)cc1C#N.
What is the InChIKey of 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile?
The InChIKey is XJAICHWYJUIAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-3-8-19-16-13(10-18)9-11(2)15(20-16)12-4-6-14(17)7-5-12/h4-7,9H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile?
6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile has a molecular weight of 330.23 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-5-methyl-2-(propylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 63482773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).