2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile

C11H15BrN4 — CID 87212598

IUPAC2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile
SMILESCCN(CC#N)CCNc1cccc(Br)n1
InChIInChI=1S/C11H15BrN4/c1-2-16(8-6-13)9-7-14-11-5-3-4-10(12)15-11/h3-5H,2,7-9H2,1H3,(H,14,15)
InChIKeyGCTLEYDYDLSERX-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.10
Rot. Bonds6

About 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile

2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile (PubChem CID 87212598) has the molecular formula C11H15BrN4 and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile
PubChem CID87212598
Molecular FormulaC11H15BrN4
Molecular Weight283.17 g/mol
Exact Mass282.05
IUPAC Name2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile
SMILESCCN(CC#N)CCNc1cccc(Br)n1
InChIInChI=1S/C11H15BrN4/c1-2-16(8-6-13)9-7-14-11-5-3-4-10(12)15-11/h3-5H,2,7-9H2,1H3,(H,14,15)
InChIKeyGCTLEYDYDLSERX-UHFFFAOYSA-N
XLogP2.10
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

6-N-[2-(diethylamino)ethyl]pyridine-2,6-diamine
CID 10856706
2-N-(6-bromo-2-pyridinyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 63962390
6-bromo-N-(2-ethoxyethyl)pyridin-2-amine
CID 63962795
2-[cyanomethyl-[6-(propylamino)-2-pyridinyl]amino]acetonitrile
CID 80753646
6-bromo-N-[2-(1,2,4-triazol-1-yl)ethyl]pyridin-2-amine;ethane
CID 156801749
3-[(6-methyl-2-pyridinyl)amino]propanenitrile
CID 130918867
6-bromo-N-(2,2-dimethylbutyl)pyridin-2-amine
CID 103463547
2-N,9-N-bis[2-(diethylamino)ethyl]-1,10-phenanthroline-2,9-diamine
CID 100984113
6-bromo-N-(3-methoxypropyl)pyridin-2-amine
CID 46739391
N',N'-diethyl-N-quinolin-2-ylethane-1,2-diamine
CID 29034391
6-bromo-N-(4-methoxybutyl)pyridin-2-amine
CID 63963664
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile?
The IUPAC name of 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile (CID 87212598) is 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile.
What is the SMILES notation for 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile?
The canonical SMILES for 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile is CCN(CC#N)CCNc1cccc(Br)n1.
What is the InChIKey of 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile?
The InChIKey is GCTLEYDYDLSERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4/c1-2-16(8-6-13)9-7-14-11-5-3-4-10(12)15-11/h3-5H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile?
2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile has a molecular weight of 283.17 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-bromo-2-pyridinyl)amino]ethyl-ethylamino]acetonitrile is sourced from PubChem (CID 87212598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).