1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

C26H27F3N4O4 — CID 90407968

IUPAC1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C26H27F3N4O4/c1-4-32-15-18(11-21(24(32)35)26(27,28)29)23(34)30-19-6-5-16(2)20(13-19)17-12-22(25(36)31(3)14-17)33-7-9-37-10-8-33/h5-6,11-15H,4,7-10H2,1-3H3,(H,30,34)
InChIKeyMKZSFPJXPHOTDV-UHFFFAOYSA-N
MW516.52 g/mol
LogP3.65
Rot. Bonds5

About 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 90407968) has the molecular formula C26H27F3N4O4 and a molecular weight of 516.52 g/mol. Its IUPAC name is 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID90407968
Molecular FormulaC26H27F3N4O4
Molecular Weight516.52 g/mol
Exact Mass516.20
IUPAC Name1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C26H27F3N4O4/c1-4-32-15-18(11-21(24(32)35)26(27,28)29)23(34)30-19-6-5-16(2)20(13-19)17-12-22(25(36)31(3)14-17)33-7-9-37-10-8-33/h5-6,11-15H,4,7-10H2,1-3H3,(H,30,34)
InChIKeyMKZSFPJXPHOTDV-UHFFFAOYSA-N
XLogP3.65
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (CID 90407968) is 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MKZSFPJXPHOTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O4/c1-4-32-15-18(11-21(24(32)35)26(27,28)29)23(34)30-19-6-5-16(2)20(13-19)17-12-22(25(36)31(3)14-17)33-7-9-37-10-8-33/h5-6,11-15H,4,7-10H2,1-3H3,(H,30,34).
What are the key properties of 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 516.52 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90407968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).