3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine

C19H17ClN2O — CID 15342355

IUPAC3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine
SMILESClc1ccc(C2=CCN(Cc3coc4ncccc34)CC2)cc1
InChIInChI=1S/C19H17ClN2O/c20-17-5-3-14(4-6-17)15-7-10-22(11-8-15)12-16-13-23-19-18(16)2-1-9-21-19/h1-7,9,13H,8,10-12H2
InChIKeyIDKSLRVELCRXAH-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.77
Rot. Bonds3

About 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine

3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine (PubChem CID 15342355) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine
PubChem CID15342355
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine
SMILESClc1ccc(C2=CCN(Cc3coc4ncccc34)CC2)cc1
InChIInChI=1S/C19H17ClN2O/c20-17-5-3-14(4-6-17)15-7-10-22(11-8-15)12-16-13-23-19-18(16)2-1-9-21-19/h1-7,9,13H,8,10-12H2
InChIKeyIDKSLRVELCRXAH-UHFFFAOYSA-N
XLogP4.77
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine?
The IUPAC name of 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine (CID 15342355) is 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine.
What is the SMILES notation for 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine?
The canonical SMILES for 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine is Clc1ccc(C2=CCN(Cc3coc4ncccc34)CC2)cc1.
What is the InChIKey of 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine?
The InChIKey is IDKSLRVELCRXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c20-17-5-3-14(4-6-17)15-7-10-22(11-8-15)12-16-13-23-19-18(16)2-1-9-21-19/h1-7,9,13H,8,10-12H2.
What are the key properties of 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine?
3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine has a molecular weight of 324.81 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]furo[2,3-b]pyridine is sourced from PubChem (CID 15342355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).