4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile

C14H13BrN4 — CID 107801742

IUPAC4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
SMILESCCNc1cccc(Nc2cc(Br)ccc2C#N)n1
InChIInChI=1S/C14H13BrN4/c1-2-17-13-4-3-5-14(19-13)18-12-8-11(15)7-6-10(12)9-16/h3-8H,2H2,1H3,(H2,17,18,19)
InChIKeyDDGVLRRJIUQORI-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.89
Rot. Bonds4

About 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile

4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile (PubChem CID 107801742) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
PubChem CID107801742
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC Name4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
SMILESCCNc1cccc(Nc2cc(Br)ccc2C#N)n1
InChIInChI=1S/C14H13BrN4/c1-2-17-13-4-3-5-14(19-13)18-12-8-11(15)7-6-10(12)9-16/h3-8H,2H2,1H3,(H2,17,18,19)
InChIKeyDDGVLRRJIUQORI-UHFFFAOYSA-N
XLogP3.89
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 107801773
4-bromo-2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 107801776
N-(5-bromo-2-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107801225
2-[(6-amino-2-pyridinyl)amino]-4-bromobenzonitrile
CID 114002797
6-N-(4-bromo-2-methylphenyl)-2-N-ethylpyridine-2,6-diamine
CID 80759261
4-bromo-2-[(5-bromo-6-methyl-2-pyridinyl)amino]benzonitrile
CID 114047759
4-bromo-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]benzonitrile
CID 107801750
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787
4-bromo-2-[(2,6-diaminopyrimidin-4-yl)amino]benzonitrile
CID 107801777
2-(5-bromo-2-cyanoanilino)-3-methylbenzonitrile
CID 107798558

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile (CID 107801742) is 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile is CCNc1cccc(Nc2cc(Br)ccc2C#N)n1.
What is the InChIKey of 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
The InChIKey is DDGVLRRJIUQORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-2-17-13-4-3-5-14(19-13)18-12-8-11(15)7-6-10(12)9-16/h3-8H,2H2,1H3,(H2,17,18,19).
What are the key properties of 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile?
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile has a molecular weight of 317.19 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 107801742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).