5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile

C16H14Cl2N6 — CID 133498739

IUPAC5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile
SMILESCCN(CCNc1ncc(C#N)cc1Cl)c1ncc(C#N)cc1Cl
InChIInChI=1S/C16H14Cl2N6/c1-2-24(16-14(18)6-12(8-20)10-23-16)4-3-21-15-13(17)5-11(7-19)9-22-15/h5-6,9-10H,2-4H2,1H3,(H,21,22)
InChIKeyDCQXMDWMNPOADI-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.47
Rot. Bonds6

About 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile

5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile (PubChem CID 133498739) has the molecular formula C16H14Cl2N6 and a molecular weight of 361.24 g/mol. Its IUPAC name is 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile
PubChem CID133498739
Molecular FormulaC16H14Cl2N6
Molecular Weight361.24 g/mol
Exact Mass360.07
IUPAC Name5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile
SMILESCCN(CCNc1ncc(C#N)cc1Cl)c1ncc(C#N)cc1Cl
InChIInChI=1S/C16H14Cl2N6/c1-2-24(16-14(18)6-12(8-20)10-23-16)4-3-21-15-13(17)5-11(7-19)9-22-15/h5-6,9-10H,2-4H2,1H3,(H,21,22)
InChIKeyDCQXMDWMNPOADI-UHFFFAOYSA-N
XLogP3.47
TPSA88.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile (CID 133498739) is 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile is CCN(CCNc1ncc(C#N)cc1Cl)c1ncc(C#N)cc1Cl.
What is the InChIKey of 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is DCQXMDWMNPOADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6/c1-2-24(16-14(18)6-12(8-20)10-23-16)4-3-21-15-13(17)5-11(7-19)9-22-15/h5-6,9-10H,2-4H2,1H3,(H,21,22).
What are the key properties of 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile?
5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 361.24 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[2-[(3-chloro-5-cyano-2-pyridinyl)-ethylamino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133498739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).