6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C20H25FN4O2 — CID 109154121

IUPAC6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H25FN4O2/c21-18-4-1-16(2-5-18)7-8-22-19-6-3-17(15-24-19)20(26)23-9-10-25-11-13-27-14-12-25/h1-6,15H,7-14H2,(H,22,24)(H,23,26)
InChIKeyQYOADTJLHMWWMC-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.94
Rot. Bonds8

About 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109154121) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109154121
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C20H25FN4O2/c21-18-4-1-16(2-5-18)7-8-22-19-6-3-17(15-24-19)20(26)23-9-10-25-11-13-27-14-12-25/h1-6,15H,7-14H2,(H,22,24)(H,23,26)
InChIKeyQYOADTJLHMWWMC-UHFFFAOYSA-N
XLogP1.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 109154121) is 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCOCC1)c1ccc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is QYOADTJLHMWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c21-18-4-1-16(2-5-18)7-8-22-19-6-3-17(15-24-19)20(26)23-9-10-25-11-13-27-14-12-25/h1-6,15H,7-14H2,(H,22,24)(H,23,26).
What are the key properties of 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109154121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).