N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide

C18H20FN3O3 — CID 71086706

IUPACN-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C18H20FN3O3/c1-3-22(4-2)16(24)11-21-18(25)17-15(23)9-13(10-20-17)12-6-5-7-14(19)8-12/h5-10,23H,3-4,11H2,1-2H3,(H,21,25)
InChIKeyKKKCCJRVOQANCI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide (PubChem CID 71086706) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
PubChem CID71086706
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1ncc(-c2cccc(F)c2)cc1O
InChIInChI=1S/C18H20FN3O3/c1-3-22(4-2)16(24)11-21-18(25)17-15(23)9-13(10-20-17)12-6-5-7-14(19)8-12/h5-10,23H,3-4,11H2,1-2H3,(H,21,25)
InChIKeyKKKCCJRVOQANCI-UHFFFAOYSA-N
XLogP2.19
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide (CID 71086706) is N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide is CCN(CC)C(=O)CNC(=O)c1ncc(-c2cccc(F)c2)cc1O.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
The InChIKey is KKKCCJRVOQANCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-3-22(4-2)16(24)11-21-18(25)17-15(23)9-13(10-20-17)12-6-5-7-14(19)8-12/h5-10,23H,3-4,11H2,1-2H3,(H,21,25).
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 71086706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).