4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine

C18H19N3O — CID 45486202

IUPAC4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine
SMILESc1cc2occc2c(-c2ccc(N3CCCCCC3)nc2)n1
InChIInChI=1S/C18H19N3O/c1-2-4-11-21(10-3-1)17-6-5-14(13-20-17)18-15-8-12-22-16(15)7-9-19-18/h5-9,12-13H,1-4,10-11H2
InChIKeyVYZFNPRTNVPDAW-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.27
Rot. Bonds2

About 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine

4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine (PubChem CID 45486202) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine
PubChem CID45486202
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine
SMILESc1cc2occc2c(-c2ccc(N3CCCCCC3)nc2)n1
InChIInChI=1S/C18H19N3O/c1-2-4-11-21(10-3-1)17-6-5-14(13-20-17)18-15-8-12-22-16(15)7-9-19-18/h5-9,12-13H,1-4,10-11H2
InChIKeyVYZFNPRTNVPDAW-UHFFFAOYSA-N
XLogP4.27
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine?
The IUPAC name of 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine (CID 45486202) is 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine is c1cc2occc2c(-c2ccc(N3CCCCCC3)nc2)n1.
What is the InChIKey of 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine?
The InChIKey is VYZFNPRTNVPDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-4-11-21(10-3-1)17-6-5-14(13-20-17)18-15-8-12-22-16(15)7-9-19-18/h5-9,12-13H,1-4,10-11H2.
What are the key properties of 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine?
4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine has a molecular weight of 293.37 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(azepan-1-yl)-3-pyridinyl]furo[3,2-c]pyridine is sourced from PubChem (CID 45486202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).