4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane

C19H23N3 — CID 69314160

IUPAC4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
SMILESc1ccc(-c2cncc(N3CCN4CCCC3CC4)c2)cc1
InChIInChI=1S/C19H23N3/c1-2-5-16(6-3-1)17-13-19(15-20-14-17)22-12-11-21-9-4-7-18(22)8-10-21/h1-3,5-6,13-15,18H,4,7-12H2
InChIKeyLISJKWUCPNWEOC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.42
Rot. Bonds2

About 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane

4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane (PubChem CID 69314160) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
PubChem CID69314160
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane
SMILESc1ccc(-c2cncc(N3CCN4CCCC3CC4)c2)cc1
InChIInChI=1S/C19H23N3/c1-2-5-16(6-3-1)17-13-19(15-20-14-17)22-12-11-21-9-4-7-18(22)8-10-21/h1-3,5-6,13-15,18H,4,7-12H2
InChIKeyLISJKWUCPNWEOC-UHFFFAOYSA-N
XLogP3.42
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
The IUPAC name of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane (CID 69314160) is 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
The canonical SMILES for 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane is c1ccc(-c2cncc(N3CCN4CCCC3CC4)c2)cc1.
What is the InChIKey of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
The InChIKey is LISJKWUCPNWEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-5-16(6-3-1)17-13-19(15-20-14-17)22-12-11-21-9-4-7-18(22)8-10-21/h1-3,5-6,13-15,18H,4,7-12H2.
What are the key properties of 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane?
4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane has a molecular weight of 293.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-3-pyridinyl)-1,4-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 69314160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).