6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

C24H19FN4O2 — CID 56943460

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ccccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H19FN4O2/c25-17-6-10-21(11-7-17)31-20-8-4-16(5-9-20)22-13-19(14-23(29-22)24(26)30)28-15-18-3-1-2-12-27-18/h1-14H,15H2,(H2,26,30)(H,28,29)
InChIKeyUDGNQPOUDIEVON-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.79
Rot. Bonds7

About 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 56943460) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID56943460
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ccccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C24H19FN4O2/c25-17-6-10-21(11-7-17)31-20-8-4-16(5-9-20)22-13-19(14-23(29-22)24(26)30)28-15-18-3-1-2-12-27-18/h1-14H,15H2,(H2,26,30)(H,28,29)
InChIKeyUDGNQPOUDIEVON-UHFFFAOYSA-N
XLogP4.79
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide (CID 56943460) is 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is NC(=O)c1cc(NCc2ccccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is UDGNQPOUDIEVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-17-6-10-21(11-7-17)31-20-8-4-16(5-9-20)22-13-19(14-23(29-22)24(26)30)28-15-18-3-1-2-12-27-18/h1-14H,15H2,(H2,26,30)(H,28,29).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 56943460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).