butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide

C19H24F3N3O2 — CID 171931063

IUPACbutan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1cccc(OC(F)(F)F)c1.CCC(C)N
InChIInChI=1S/C15H13F3N2O2.C4H11N/c1-10(20-14(21)11-5-7-19-8-6-11)12-3-2-4-13(9-12)22-15(16,17)18;1-3-4(2)5/h2-10H,1H3,(H,20,21);4H,3,5H2,1-2H3
InChIKeyBWXRRUYKLDNKFA-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.21
Rot. Bonds5

About butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide

butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide (PubChem CID 171931063) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Namebutan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
PubChem CID171931063
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Namebutan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1cccc(OC(F)(F)F)c1.CCC(C)N
InChIInChI=1S/C15H13F3N2O2.C4H11N/c1-10(20-14(21)11-5-7-19-8-6-11)12-3-2-4-13(9-12)22-15(16,17)18;1-3-4(2)5/h2-10H,1H3,(H,20,21);4H,3,5H2,1-2H3
InChIKeyBWXRRUYKLDNKFA-UHFFFAOYSA-N
XLogP4.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
2-methyl-N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 160840469
6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 174811478
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
(3R)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;(3S)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 157286212
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
N-[1-[3-(1,1-difluoroethoxy)phenyl]ethyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566129
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40637184
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide (CID 171931063) is butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1cccc(OC(F)(F)F)c1.CCC(C)N.
What is the InChIKey of butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is BWXRRUYKLDNKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2.C4H11N/c1-10(20-14(21)11-5-7-19-8-6-11)12-3-2-4-13(9-12)22-15(16,17)18;1-3-4(2)5/h2-10H,1H3,(H,20,21);4H,3,5H2,1-2H3.
What are the key properties of butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide?
butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 171931063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).