N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine

C19H24F3N3O2 — CID 171929449

IUPACN-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine
SMILESCC(C)(C)N.COc1c(CNC(=O)c2ccncc2)cccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2.C4H11N/c1-22-13-11(3-2-4-12(13)15(16,17)18)9-20-14(21)10-5-7-19-8-6-10;1-4(2,3)5/h2-8H,9H2,1H3,(H,20,21);5H2,1-3H3
InChIKeyOGCKLTHWNKEJRF-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.78
Rot. Bonds4

About N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine

N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine (PubChem CID 171929449) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine
PubChem CID171929449
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC NameN-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine
SMILESCC(C)(C)N.COc1c(CNC(=O)c2ccncc2)cccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2.C4H11N/c1-22-13-11(3-2-4-12(13)15(16,17)18)9-20-14(21)10-5-7-19-8-6-10;1-4(2,3)5/h2-8H,9H2,1H3,(H,20,21);5H2,1-3H3
InChIKeyOGCKLTHWNKEJRF-UHFFFAOYSA-N
XLogP3.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine?
The IUPAC name of N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine (CID 171929449) is N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine?
The canonical SMILES for N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine is CC(C)(C)N.COc1c(CNC(=O)c2ccncc2)cccc1C(F)(F)F.
What is the InChIKey of N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine?
The InChIKey is OGCKLTHWNKEJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2.C4H11N/c1-22-13-11(3-2-4-12(13)15(16,17)18)9-20-14(21)10-5-7-19-8-6-10;1-4(2,3)5/h2-8H,9H2,1H3,(H,20,21);5H2,1-3H3.
What are the key properties of N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine?
N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine has a molecular weight of 383.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-methylpropan-2-amine is sourced from PubChem (CID 171929449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).