N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide

C22H26FN3O4 — CID 167862463

IUPACN,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)C(=O)Cn1cccc(C(=O)N2CCOC(c3cccc(F)c3)C2)c1=O
InChIInChI=1S/C22H26FN3O4/c1-3-24(4-2)20(27)15-25-10-6-9-18(21(25)28)22(29)26-11-12-30-19(14-26)16-7-5-8-17(23)13-16/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeyREACMZJOVZMASD-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.07
Rot. Bonds6

About N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide

N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide (PubChem CID 167862463) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide
PubChem CID167862463
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC NameN,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide
SMILESCCN(CC)C(=O)Cn1cccc(C(=O)N2CCOC(c3cccc(F)c3)C2)c1=O
InChIInChI=1S/C22H26FN3O4/c1-3-24(4-2)20(27)15-25-10-6-9-18(21(25)28)22(29)26-11-12-30-19(14-26)16-7-5-8-17(23)13-16/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeyREACMZJOVZMASD-UHFFFAOYSA-N
XLogP2.07
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 97067462
5-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-methyl-1H-pyridin-4-one
CID 71926655
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
[2-(3-fluorophenyl)morpholin-4-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 155945273
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058
7-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119770399
N-[3-(diethylamino)-3-oxopropyl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 55934228
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 136511968

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide (CID 167862463) is N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide is CCN(CC)C(=O)Cn1cccc(C(=O)N2CCOC(c3cccc(F)c3)C2)c1=O.
What is the InChIKey of N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide?
The InChIKey is REACMZJOVZMASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-3-24(4-2)20(27)15-25-10-6-9-18(21(25)28)22(29)26-11-12-30-19(14-26)16-7-5-8-17(23)13-16/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide?
N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide has a molecular weight of 415.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-[2-(3-fluorophenyl)morpholine-4-carbonyl]-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 167862463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).