N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C20H18F3N5O2 — CID 67613982

IUPACN-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)N(C)c1c(C)cnc2c(NC(=O)c3cnccc3C(F)(F)F)cccc12
InChIInChI=1S/C20H18F3N5O2/c1-11-9-26-16-12(17(11)28(3)19(30)24-2)5-4-6-15(16)27-18(29)13-10-25-8-7-14(13)20(21,22)23/h4-10H,1-3H3,(H,24,30)(H,27,29)
InChIKeyNTFFBFXMDZZPSQ-UHFFFAOYSA-N
MW417.39 g/mol
LogP3.98
Rot. Bonds3

About N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 67613982) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID67613982
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC NameN-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)N(C)c1c(C)cnc2c(NC(=O)c3cnccc3C(F)(F)F)cccc12
InChIInChI=1S/C20H18F3N5O2/c1-11-9-26-16-12(17(11)28(3)19(30)24-2)5-4-6-15(16)27-18(29)13-10-25-8-7-14(13)20(21,22)23/h4-10H,1-3H3,(H,24,30)(H,27,29)
InChIKeyNTFFBFXMDZZPSQ-UHFFFAOYSA-N
XLogP3.98
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579
N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67600268
N-[3-bromo-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782527
N-(4-hydrazinyl-3-methylquinolin-8-yl)-2-(trifluoromethyl)benzamide
CID 19592320
N-[3-methyl-4-(5-methylimidazol-1-yl)quinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782543
N-[3-chloro-4-(2-oxo-3-phenylimidazolidin-1-yl)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782558
N-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782614
N-[4-(2-benzoylhydrazinyl)-3-methylquinolin-8-yl]-2-(trifluoromethyl)benzamide
CID 139782331
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
4-(dimethylamino)-8-(trifluoromethyl)quinoline-3-carbohydrazide
CID 43826491
N-(2,6-diethylphenyl)-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 2727017

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 67613982) is N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is CNC(=O)N(C)c1c(C)cnc2c(NC(=O)c3cnccc3C(F)(F)F)cccc12.
What is the InChIKey of N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is NTFFBFXMDZZPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-11-9-26-16-12(17(11)28(3)19(30)24-2)5-4-6-15(16)27-18(29)13-10-25-8-7-14(13)20(21,22)23/h4-10H,1-3H3,(H,24,30)(H,27,29).
What are the key properties of N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[methyl(methylcarbamoyl)amino]quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67613982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).