N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H20F6N4O2 — CID 112843308

IUPACN,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)CCN(C)C(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C20H20F6N4O2/c1-11-13(5-7-15(27-11)19(21,22)23)17(31)29(3)9-10-30(4)18(32)14-6-8-16(20(24,25)26)28-12(14)2/h5-8H,9-10H2,1-4H3
InChIKeyPDQCIBFZNVRBMB-UHFFFAOYSA-N
MW462.39 g/mol
LogP3.98
Rot. Bonds5

About N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 112843308) has the molecular formula C20H20F6N4O2 and a molecular weight of 462.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID112843308
Molecular FormulaC20H20F6N4O2
Molecular Weight462.39 g/mol
Exact Mass462.15
IUPAC NameN,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)N(C)CCN(C)C(=O)c1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C20H20F6N4O2/c1-11-13(5-7-15(27-11)19(21,22)23)17(31)29(3)9-10-30(4)18(32)14-6-8-16(20(24,25)26)28-12(14)2/h5-8H,9-10H2,1-4H3
InChIKeyPDQCIBFZNVRBMB-UHFFFAOYSA-N
XLogP3.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69435136
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78852267
N-(1-aminopropan-2-yl)-N,2-dimethyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119581336
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-1-one
CID 167670286
1-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120540042
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
2-methyl-N-(2-methylsulfanylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 69438762
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31908536
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120944494

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 112843308) is N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)N(C)CCN(C)C(=O)c1ccc(C(F)(F)F)nc1C.
What is the InChIKey of N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PDQCIBFZNVRBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F6N4O2/c1-11-13(5-7-15(27-11)19(21,22)23)17(31)29(3)9-10-30(4)18(32)14-6-8-16(20(24,25)26)28-12(14)2/h5-8H,9-10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 462.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 112843308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).