4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile

C24H17FN4O — CID 154644627

IUPAC4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCc2cccnc2)n1
InChIInChI=1S/C24H17FN4O/c1-16-4-2-11-28-23(16)22-12-20(18-6-8-19(25)9-7-18)21(13-26)24(29-22)30-15-17-5-3-10-27-14-17/h2-12,14H,15H2,1H3
InChIKeyWBCSQDVCJBCNLJ-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.10
Rot. Bonds5

About 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile

4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile (PubChem CID 154644627) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
PubChem CID154644627
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCc2cccnc2)n1
InChIInChI=1S/C24H17FN4O/c1-16-4-2-11-28-23(16)22-12-20(18-6-8-19(25)9-7-18)21(13-26)24(29-22)30-15-17-5-3-10-27-14-17/h2-12,14H,15H2,1H3
InChIKeyWBCSQDVCJBCNLJ-UHFFFAOYSA-N
XLogP5.10
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile (CID 154644627) is 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile is Cc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCc2cccnc2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile?
The InChIKey is WBCSQDVCJBCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c1-16-4-2-11-28-23(16)22-12-20(18-6-8-19(25)9-7-18)21(13-26)24(29-22)30-15-17-5-3-10-27-14-17/h2-12,14H,15H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile has a molecular weight of 396.43 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 154644627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).