6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile

C22H17Cl2N7 — CID 18334974

IUPAC6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2ccc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C22H17Cl2N7/c23-16-2-3-17(18(24)11-16)22-19(31-10-9-26-14-31)4-6-21(30-22)28-8-7-27-20-5-1-15(12-25)13-29-20/h1-6,9-11,13-14H,7-8H2,(H,27,29)(H,28,30)
InChIKeyNBNZBRUMWIUGQM-UHFFFAOYSA-N
MW450.33 g/mol
LogP5.03
Rot. Bonds7

About 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile

6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile (PubChem CID 18334974) has the molecular formula C22H17Cl2N7 and a molecular weight of 450.33 g/mol. Its IUPAC name is 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
PubChem CID18334974
Molecular FormulaC22H17Cl2N7
Molecular Weight450.33 g/mol
Exact Mass449.09
IUPAC Name6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCNc2ccc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)nc1
InChIInChI=1S/C22H17Cl2N7/c23-16-2-3-17(18(24)11-16)22-19(31-10-9-26-14-31)4-6-21(30-22)28-8-7-27-20-5-1-15(12-25)13-29-20/h1-6,9-11,13-14H,7-8H2,(H,27,29)(H,28,30)
InChIKeyNBNZBRUMWIUGQM-UHFFFAOYSA-N
XLogP5.03
TPSA91.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile (CID 18334974) is 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCCNc2ccc(-n3ccnc3)c(-c3ccc(Cl)cc3Cl)n2)nc1.
What is the InChIKey of 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
The InChIKey is NBNZBRUMWIUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2N7/c23-16-2-3-17(18(24)11-16)22-19(31-10-9-26-14-31)4-6-21(30-22)28-8-7-27-20-5-1-15(12-25)13-29-20/h1-6,9-11,13-14H,7-8H2,(H,27,29)(H,28,30).
What are the key properties of 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile?
6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile has a molecular weight of 450.33 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[6-(2,4-dichlorophenyl)-5-imidazol-1-yl-2-pyridinyl]amino]ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 18334974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).