N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide

C19H23F4N3O — CID 162622394

IUPACN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide
SMILESCC(C)(C)NCc1cc(C(F)(F)F)ccc1F.Cc1cc(C(N)=O)ccn1
InChIInChI=1S/C12H15F4N.C7H8N2O/c1-11(2,3)17-7-8-6-9(12(14,15)16)4-5-10(8)13;1-5-4-6(7(8)10)2-3-9-5/h4-6,17H,7H2,1-3H3;2-4H,1H3,(H2,8,10)
InChIKeyTUMMJJWVJXCBKX-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.22
Rot. Bonds3

About N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide

N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide (PubChem CID 162622394) has the molecular formula C19H23F4N3O and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide
PubChem CID162622394
Molecular FormulaC19H23F4N3O
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC NameN-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide
SMILESCC(C)(C)NCc1cc(C(F)(F)F)ccc1F.Cc1cc(C(N)=O)ccn1
InChIInChI=1S/C12H15F4N.C7H8N2O/c1-11(2,3)17-7-8-6-9(12(14,15)16)4-5-10(8)13;1-5-4-6(7(8)10)2-3-9-5/h4-6,17H,7H2,1-3H3;2-4H,1H3,(H2,8,10)
InChIKeyTUMMJJWVJXCBKX-UHFFFAOYSA-N
XLogP4.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612
N-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide
CID 171930589
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67511343
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510089
3-[[(2,5-dimethylpyrrol-1-yl)amino]methyl]-4-fluorobenzamide
CID 79099918
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 158051254
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyridine-4-carboxamide
CID 174687552
4-fluoro-3-[[(6-methyl-3-pyridinyl)methylamino]methyl]benzamide
CID 62996754
N-[1-[2-(aminomethyl)-4-(2,2-difluoroethoxy)phenyl]ethyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide
CID 171925162
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide?
The IUPAC name of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide (CID 162622394) is N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide is CC(C)(C)NCc1cc(C(F)(F)F)ccc1F.Cc1cc(C(N)=O)ccn1.
What is the InChIKey of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide?
The InChIKey is TUMMJJWVJXCBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N.C7H8N2O/c1-11(2,3)17-7-8-6-9(12(14,15)16)4-5-10(8)13;1-5-4-6(7(8)10)2-3-9-5/h4-6,17H,7H2,1-3H3;2-4H,1H3,(H2,8,10).
What are the key properties of N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide?
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;2-methylpyridine-4-carboxamide is sourced from PubChem (CID 162622394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).