N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C24H23F3N4O3 — CID 90408177

IUPACN-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
InChIInChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(30(2)22(32)12-17)31-6-8-34-9-7-31)13-19(14-28-15)29-23(33)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,33)
InChIKeyRIWOUJDVHWYDRK-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.86
Rot. Bonds4

About N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90408177) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90408177
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC NameN-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1
InChIInChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(30(2)22(32)12-17)31-6-8-34-9-7-31)13-19(14-28-15)29-23(33)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,33)
InChIKeyRIWOUJDVHWYDRK-UHFFFAOYSA-N
XLogP3.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

Aminopyridine N-oxide, 59
CID 24746612
(4R)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-N-[3-(4-pyridin-2-ylpiperidin-1-yl)propyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10529370
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
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 71457442
4-fluoro-3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide
CID 10088811
N-(3-methylbutyl)-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-2-carboxamide
CID 11351351
3-Methyl-N-{[4-(pyridin-2-yl)piperidin-1-yl]methyl}benzamide
CID 16094699
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

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90408177) is N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)n(C)c(=O)c1.
What is the InChIKey of N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RIWOUJDVHWYDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15-20(17-11-21(30(2)22(32)12-17)31-6-8-34-9-7-31)13-19(14-28-15)29-23(33)16-4-3-5-18(10-16)24(25,26)27/h3-5,10-14H,6-9H2,1-2H3,(H,29,33).
What are the key properties of N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 472.47 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90408177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).