1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

C25H25F3N4O3 — CID 90409532

IUPAC1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C25H25F3N4O3/c1-3-31-15-18(12-21(24(31)34)25(26,27)28)23(33)30-19-5-4-16(2)20(14-19)17-6-7-29-22(13-17)32-8-10-35-11-9-32/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,33)
InChIKeyCCCXUVYYHIWBRQ-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.35
Rot. Bonds5

About 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide

1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 90409532) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID90409532
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Name1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C25H25F3N4O3/c1-3-31-15-18(12-21(24(31)34)25(26,27)28)23(33)30-19-5-4-16(2)20(14-19)17-6-7-29-22(13-17)32-8-10-35-11-9-32/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,33)
InChIKeyCCCXUVYYHIWBRQ-UHFFFAOYSA-N
XLogP4.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
1-ethyl-N-[5-[2-(2-hydroxyethylamino)-4-pyridinyl]-6-methyl-2-morpholin-4-yl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175159068
N-[3-[5-amino-6-(dimethylamino)-3-pyridinyl]-4-methylphenyl]-1-ethyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 155216349
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridazine-4-carboxamide
CID 163513744
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
N-[3-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297092
2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
CID 86297886
N-[4-methyl-3-[5-morpholin-4-yl-6-[3-(3-oxomorpholin-4-yl)prop-1-ynyl]-3-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 163255680
4-(1,2-dihydroxyethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
CID 90456400
N-[4-methyl-3-[2-morpholin-4-yl-6-[(3S)-4,4,4-trifluoro-3-hydroxybut-1-ynyl]-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;sulfane
CID 165107587
3-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]benzamide
CID 86297692

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide (CID 90409532) is 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is CCn1cc(C(=O)Nc2ccc(C)c(-c3ccnc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CCCXUVYYHIWBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3/c1-3-31-15-18(12-21(24(31)34)25(26,27)28)23(33)30-19-5-4-16(2)20(14-19)17-6-7-29-22(13-17)32-8-10-35-11-9-32/h4-7,12-15H,3,8-11H2,1-2H3,(H,30,33).
What are the key properties of 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide?
1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 486.49 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90409532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).