6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile

C17H17BrN4O — CID 133385160

IUPAC6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(Br)cc2N2CCOCC2)nc1
InChIInChI=1S/C17H17BrN4O/c18-15-3-2-14(16(9-15)22-5-7-23-8-6-22)12-21-17-4-1-13(10-19)11-20-17/h1-4,9,11H,5-8,12H2,(H,20,21)
InChIKeyCZWIRDXABCKKCC-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.16
Rot. Bonds4

About 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile

6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile (PubChem CID 133385160) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
PubChem CID133385160
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCc2ccc(Br)cc2N2CCOCC2)nc1
InChIInChI=1S/C17H17BrN4O/c18-15-3-2-14(16(9-15)22-5-7-23-8-6-22)12-21-17-4-1-13(10-19)11-20-17/h1-4,9,11H,5-8,12H2,(H,20,21)
InChIKeyCZWIRDXABCKKCC-UHFFFAOYSA-N
XLogP3.16
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile (CID 133385160) is 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCc2ccc(Br)cc2N2CCOCC2)nc1.
What is the InChIKey of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is CZWIRDXABCKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c18-15-3-2-14(16(9-15)22-5-7-23-8-6-22)12-21-17-4-1-13(10-19)11-20-17/h1-4,9,11H,5-8,12H2,(H,20,21).
What are the key properties of 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile?
6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 373.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-morpholin-4-ylphenyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133385160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).