4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide

C18H14FN3O2 — CID 122539668

IUPAC4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cccnc2)cn1
InChIInChI=1S/C18H14FN3O2/c19-14-5-3-13(4-6-14)15-8-16(18(20)23)22-10-17(15)24-11-12-2-1-7-21-9-12/h1-10H,11H2,(H2,20,23)
InChIKeyBSTAUTRIGZMFCO-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.96
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide

4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide (PubChem CID 122539668) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide
PubChem CID122539668
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cccnc2)cn1
InChIInChI=1S/C18H14FN3O2/c19-14-5-3-13(4-6-14)15-8-16(18(20)23)22-10-17(15)24-11-12-2-1-7-21-9-12/h1-10H,11H2,(H2,20,23)
InChIKeyBSTAUTRIGZMFCO-UHFFFAOYSA-N
XLogP2.96
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide (CID 122539668) is 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c(OCc2cccnc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
The InChIKey is BSTAUTRIGZMFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-14-5-3-13(4-6-14)15-8-16(18(20)23)22-10-17(15)24-11-12-2-1-7-21-9-12/h1-10H,11H2,(H2,20,23).
What are the key properties of 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(pyridin-3-ylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 122539668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).