N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide

C19H18F3N3O2 — CID 6134522

IUPACN-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
SMILESCc1cccnc1NC(=O)C(Cc1ccccc1)N/C=C/C(=O)C(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-13-6-5-10-24-17(13)25-18(27)15(12-14-7-3-2-4-8-14)23-11-9-16(26)19(20,21)22/h2-11,15,23H,12H2,1H3,(H,24,25,27)/b11-9+
InChIKeyWEYGRPJUVAVMQN-PKNBQFBNSA-N
MW377.37 g/mol
LogP3.17
Rot. Bonds7

About N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide

N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide (PubChem CID 6134522) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
PubChem CID6134522
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
SMILESCc1cccnc1NC(=O)C(Cc1ccccc1)N/C=C/C(=O)C(F)(F)F
InChIInChI=1S/C19H18F3N3O2/c1-13-6-5-10-24-17(13)25-18(27)15(12-14-7-3-2-4-8-14)23-11-9-16(26)19(20,21)22/h2-11,15,23H,12H2,1H3,(H,24,25,27)/b11-9+
InChIKeyWEYGRPJUVAVMQN-PKNBQFBNSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,3-diphenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134355
3-phenyl-N-(4-phenylphenyl)-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134525
N-naphthalen-1-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509850
N-naphthalen-2-yl-3-phenyl-2-[(4,4,4-trifluoro-3-oxobut-1-enyl)amino]propanamide
CID 4509851
N-(4-morpholin-4-ylphenyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide
CID 6134581
N,N'-bis(3-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3398462
3-phenyl-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]propanoic acid
CID 23247360
(2R)-2-hydroxy-N-(3-methyl-2-pyridinyl)propanamide
CID 130662699
methyl (2S)-3-phenyl-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]propanoate
CID 101210331
2-amino-N-(3-methyl-2-pyridinyl)propanamide
CID 60731979
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
(2R)-N-(3-methyl-2-pyridinyl)-2-phenylsulfanylpropanamide
CID 39951954

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide (CID 6134522) is N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide is Cc1cccnc1NC(=O)C(Cc1ccccc1)N/C=C/C(=O)C(F)(F)F.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
The InChIKey is WEYGRPJUVAVMQN-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-13-6-5-10-24-17(13)25-18(27)15(12-14-7-3-2-4-8-14)23-11-9-16(26)19(20,21)22/h2-11,15,23H,12H2,1H3,(H,24,25,27)/b11-9+.
What are the key properties of N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide?
N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide has a molecular weight of 377.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-phenyl-2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanamide is sourced from PubChem (CID 6134522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).