N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide

C26H35F3N4O2 — CID 70913555

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCCN(c1cc(C(F)(F)F)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1C[C@@H](C)N[C@H](C)C1
InChIInChI=1S/C26H35F3N4O2/c1-7-33(20-9-16(4)31-17(5)10-20)23-12-19(26(27,28)29)11-21(18(23)6)24(34)30-13-22-14(2)8-15(3)32-25(22)35/h8,11-12,16-17,20,31H,7,9-10,13H2,1-6H3,(H,30,34)(H,32,35)/t16-,17-/m1/s1
InChIKeyWYRQXOOIAAOSAC-IAGOWNOFSA-N
MW492.59 g/mol
LogP4.60
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70913555) has the molecular formula C26H35F3N4O2 and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide
PubChem CID70913555
Molecular FormulaC26H35F3N4O2
Molecular Weight492.59 g/mol
Exact Mass492.27
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide
SMILESCCN(c1cc(C(F)(F)F)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1C[C@@H](C)N[C@H](C)C1
InChIInChI=1S/C26H35F3N4O2/c1-7-33(20-9-16(4)31-17(5)10-20)23-12-19(26(27,28)29)11-21(18(23)6)24(34)30-13-22-14(2)8-15(3)32-25(22)35/h8,11-12,16-17,20,31H,7,9-10,13H2,1-6H3,(H,30,34)(H,32,35)/t16-,17-/m1/s1
InChIKeyWYRQXOOIAAOSAC-IAGOWNOFSA-N
XLogP4.60
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.59
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 70913333
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-(4-propan-2-ylcyclohexyl)amino]-2-methyl-5-(trifluoromethyl)benzamide
CID 137382159
3-[ethyl-(1-methylpiperidin-4-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide
CID 70874777
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-5-(trifluoromethyl)benzamide;formic acid
CID 70874268
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]benzamide
CID 163565417
3-[ethyl-(1-methylpiperidin-4-yl)amino]-N-[(5-fluoro-4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-(trifluoromethyl)benzamide
CID 70913559
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-propan-2-ylbenzamide
CID 90151374
3-[ethyl-[(2R)-2-methylpiperidin-4-yl]amino]-5-fluoro-2-methyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]benzamide
CID 155215853
5-bromo-3-[[4-[(dimethylamino)methyl]cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 163576834
tert-butyl-[4-[5-chloro-3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-N-ethyl-2-methylanilino]cyclohexyl]carbamic acid
CID 90150990
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(4-methylphenyl)benzamide
CID 70872858

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide (CID 70913555) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide is CCN(c1cc(C(F)(F)F)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1C[C@@H](C)N[C@H](C)C1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is WYRQXOOIAAOSAC-IAGOWNOFSA-N. The full InChI is InChI=1S/C26H35F3N4O2/c1-7-33(20-9-16(4)31-17(5)10-20)23-12-19(26(27,28)29)11-21(18(23)6)24(34)30-13-22-14(2)8-15(3)32-25(22)35/h8,11-12,16-17,20,31H,7,9-10,13H2,1-6H3,(H,30,34)(H,32,35)/t16-,17-/m1/s1.
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 492.59 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[[(2R,6R)-2,6-dimethylpiperidin-4-yl]-ethylamino]-2-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70913555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).