2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C20H22F3N3O4 — CID 44826938

IUPAC2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CN2CCOCC2)cc1=O
InChIInChI=1S/C20H22F3N3O4/c1-29-18-12-26(16(10-17(18)27)11-25-5-7-30-8-6-25)13-19(28)24-15-4-2-3-14(9-15)20(21,22)23/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,24,28)
InChIKeyQOPYWZFAHVQDTL-UHFFFAOYSA-N
MW425.41 g/mol
LogP2.35
Rot. Bonds6

About 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 44826938) has the molecular formula C20H22F3N3O4 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID44826938
Molecular FormulaC20H22F3N3O4
Molecular Weight425.41 g/mol
Exact Mass425.16
IUPAC Name2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CN2CCOCC2)cc1=O
InChIInChI=1S/C20H22F3N3O4/c1-29-18-12-26(16(10-17(18)27)11-25-5-7-30-8-6-25)13-19(28)24-15-4-2-3-14(9-15)20(21,22)23/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,24,28)
InChIKeyQOPYWZFAHVQDTL-UHFFFAOYSA-N
XLogP2.35
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27603366
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-(3-methoxyphenyl)acetamide
CID 27444932
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 27369068
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
CID 18566890
N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
CID 30544573
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
CID 27452045
2-[2-[(4-acetylpiperazin-1-yl)methyl]-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide
CID 18566937
ethyl 4-[[2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]acetyl]amino]benzoate
CID 27651653
N-(1,3-benzodioxol-5-yl)-2-[5-methoxy-2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-4-oxo-1-pyridinyl]acetamide
CID 18566990
2-[5-methoxy-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]-1-pyridinyl]-N-(4-nitrophenyl)acetamide
CID 18566955
2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 71708711
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 44826938) is 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide is COc1cn(CC(=O)Nc2cccc(C(F)(F)F)c2)c(CN2CCOCC2)cc1=O.
What is the InChIKey of 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QOPYWZFAHVQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4/c1-29-18-12-26(16(10-17(18)27)11-25-5-7-30-8-6-25)13-19(28)24-15-4-2-3-14(9-15)20(21,22)23/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,24,28).
What are the key properties of 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 425.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 44826938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).