3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one

C19H18F4N4O — CID 156735340

IUPAC3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one
SMILESCNCC1=C(Nc2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)CNC1=O
InChIInChI=1S/C19H18F4N4O/c1-24-9-16-17(10-26-18(16)28)27-14-2-3-25-15(8-14)6-11-4-12(19(21,22)23)7-13(20)5-11/h2-5,7-8,24H,6,9-10H2,1H3,(H,25,27)(H,26,28)
InChIKeyNEACROMCCHKMLI-UHFFFAOYSA-N
MW394.37 g/mol
LogP2.85
Rot. Bonds6

About 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one

3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one (PubChem CID 156735340) has the molecular formula C19H18F4N4O and a molecular weight of 394.37 g/mol. Its IUPAC name is 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one
PubChem CID156735340
Molecular FormulaC19H18F4N4O
Molecular Weight394.37 g/mol
Exact Mass394.14
IUPAC Name3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one
SMILESCNCC1=C(Nc2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)CNC1=O
InChIInChI=1S/C19H18F4N4O/c1-24-9-16-17(10-26-18(16)28)27-14-2-3-25-15(8-14)6-11-4-12(19(21,22)23)7-13(20)5-11/h2-5,7-8,24H,6,9-10H2,1H3,(H,25,27)(H,26,28)
InChIKeyNEACROMCCHKMLI-UHFFFAOYSA-N
XLogP2.85
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.37
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 156735505
8-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-3H-1,2,3-benzotriazin-4-one
CID 178059717
3-[[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]-2-hydrazinylcyclohex-2-en-1-one
CID 162739859
5-chloro-2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyridine
CID 66827174
1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]pyrazole-4-carboxamide
CID 156852738
3-amino-2-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]iminomethyl]-N-(2-hydroxyethyl)but-2-enamide
CID 156852792
3-[(4-tert-butyl-2-pyridinyl)methyl]-5-(trifluoromethyl)benzonitrile
CID 166568375
(E)-3-[[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]-4-hydroxy-N-methyl-2-[1-(methylamino)ethyl]but-2-enamide
CID 156852758
(2E)-2-[[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]hydrazinylidene]-3-(methylamino)propanal
CID 156852805
(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 115350727
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115282762
2-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]-3-methyl-4H-triazole-5-carboxamide
CID 156852896

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one (CID 156735340) is 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one is CNCC1=C(Nc2ccnc(Cc3cc(F)cc(C(F)(F)F)c3)c2)CNC1=O.
What is the InChIKey of 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one?
The InChIKey is NEACROMCCHKMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O/c1-24-9-16-17(10-26-18(16)28)27-14-2-3-25-15(8-14)6-11-4-12(19(21,22)23)7-13(20)5-11/h2-5,7-8,24H,6,9-10H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one?
3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one has a molecular weight of 394.37 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]amino]-4-(methylaminomethyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 156735340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).