2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C19H18F3N3O — CID 143988590

IUPAC2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC=Cc1cc(NC(=O)C(N)Cc2ccc(C(F)(F)F)cc2)cnc1C=C
InChIInChI=1S/C19H18F3N3O/c1-3-13-10-15(11-24-17(13)4-2)25-18(26)16(23)9-12-5-7-14(8-6-12)19(20,21)22/h3-8,10-11,16H,1-2,9,23H2,(H,25,26)
InChIKeyQTUCFOOATXCUJH-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.89
Rot. Bonds6

About 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide

2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 143988590) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID143988590
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESC=Cc1cc(NC(=O)C(N)Cc2ccc(C(F)(F)F)cc2)cnc1C=C
InChIInChI=1S/C19H18F3N3O/c1-3-13-10-15(11-24-17(13)4-2)25-18(26)16(23)9-12-5-7-14(8-6-12)19(20,21)22/h3-8,10-11,16H,1-2,9,23H2,(H,25,26)
InChIKeyQTUCFOOATXCUJH-UHFFFAOYSA-N
XLogP3.89
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5,6-bis(ethenyl)-3-pyridinyl]-3-hydroxy-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 143988221
(2S)-2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(3,4,5-trifluorophenyl)propanamide;bis(2,2,2-trifluoroacetic acid)
CID 25141925
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
(2S)-2-(methylamino)-N-quinolin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59868559
(2S)-2,4,6-triamino-4-(2-aminoethyl)-N-[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]hexanamide
CID 46223454
2,5-diamino-4-(aminomethyl)-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 46221891
2-amino-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-(2,4,5-trifluorophenyl)propanamide
CID 74394698
2-amino-1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 22262196
(2S)-2-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
CID 119294899
(2R)-2-amino-N-(6-chloro-5-methyl-3-pyridinyl)-3-phenylpropanamide
CID 103797011
(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]butanediamide
CID 59366902
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 143988590) is 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide is C=Cc1cc(NC(=O)C(N)Cc2ccc(C(F)(F)F)cc2)cnc1C=C.
What is the InChIKey of 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QTUCFOOATXCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-3-13-10-15(11-24-17(13)4-2)25-18(26)16(23)9-12-5-7-14(8-6-12)19(20,21)22/h3-8,10-11,16H,1-2,9,23H2,(H,25,26).
What are the key properties of 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 361.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5,6-bis(ethenyl)-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 143988590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).