N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C28H29F3N4O4 — CID 90408058

IUPACN-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O4/c1-18-24(15-22(16-32-18)33-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(34-7-11-39-12-8-34)27(37)35(17-20)23-5-9-38-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,33,36)
InChIKeyHQVKJIWNVNEHBE-UHFFFAOYSA-N
MW542.56 g/mol
LogP4.68
Rot. Bonds5

About N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408058) has the molecular formula C28H29F3N4O4 and a molecular weight of 542.56 g/mol. Its IUPAC name is N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90408058
Molecular FormulaC28H29F3N4O4
Molecular Weight542.56 g/mol
Exact Mass542.21
IUPAC NameN-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O4/c1-18-24(15-22(16-32-18)33-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(34-7-11-39-12-8-34)27(37)35(17-20)23-5-9-38-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,33,36)
InChIKeyHQVKJIWNVNEHBE-UHFFFAOYSA-N
XLogP4.68
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90442604
N-(1',2-dimethyl-5'-morpholino-6'-oxo-1',6'-dihydro-[3,3'-bipyridin]-5-yl)-2-(trifluoromethyl)isonicotinamide
CID 117609603
N-[6-methyl-5-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117610044
2-Fluoro-N-[(E)-1-(morpholine-4-carbonyl)-2-pyridin-3-yl-vinyl]-benzamide
CID 1835917
N-(3-methylbutyl)-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 11351351
N-({1-[4-(3-Amino-pyridin-2-yl)-cyclohexyl]-azetidin-3-ylcarbamoyl}-methyl)-3-trifluoromethyl-benzamide
CID 46945254
N-[2-[[1-[4-(5-aminopyridin-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 46945255
N-(2-morpholin-4-ylethyl)-4-pyridin-2-ylbenzamide
CID 59673077
9-(pyridine-2-carbonyl)-N-[4-(trifluoromethyl)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73212939
N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]pyridin-3-yl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 46178859
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)pyridine-2-carboxamide
CID 46179102
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluoro-3-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 46179192

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90408058) is N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c(=O)n(C2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HQVKJIWNVNEHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O4/c1-18-24(15-22(16-32-18)33-26(36)19-3-2-4-21(13-19)28(29,30)31)20-14-25(34-7-11-39-12-8-34)27(37)35(17-20)23-5-9-38-10-6-23/h2-4,13-17,23H,5-12H2,1H3,(H,33,36).
What are the key properties of N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 542.56 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[5-morpholin-4-yl-1-(oxan-4-yl)-6-oxo-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).