6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide

C23H22FN3O3 — CID 86274510

IUPAC6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)c(CN3CCOCC3)c2)n1
InChIInChI=1S/C23H22FN3O3/c24-18-5-7-19(8-6-18)30-22-9-4-16(20-2-1-3-21(26-20)23(25)28)14-17(22)15-27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H2,25,28)
InChIKeyWWAKOFHQKQFFAQ-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.61
Rot. Bonds6

About 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide (PubChem CID 86274510) has the molecular formula C23H22FN3O3 and a molecular weight of 407.45 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide
PubChem CID86274510
Molecular FormulaC23H22FN3O3
Molecular Weight407.45 g/mol
Exact Mass407.16
IUPAC Name6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)c(CN3CCOCC3)c2)n1
InChIInChI=1S/C23H22FN3O3/c24-18-5-7-19(8-6-18)30-22-9-4-16(20-2-1-3-21(26-20)23(25)28)14-17(22)15-27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H2,25,28)
InChIKeyWWAKOFHQKQFFAQ-UHFFFAOYSA-N
XLogP3.61
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide (CID 86274510) is 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide is NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)c(CN3CCOCC3)c2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is WWAKOFHQKQFFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3/c24-18-5-7-19(8-6-18)30-22-9-4-16(20-2-1-3-21(26-20)23(25)28)14-17(22)15-27-10-12-29-13-11-27/h1-9,14H,10-13,15H2,(H2,25,28).
What are the key properties of 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)-3-(morpholin-4-ylmethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86274510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).