2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

C13H19F3N4O — CID 103369996

IUPAC2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(Cc1cccc(C)n1)CC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-3-20(7-10-6-4-5-9(2)18-10)8-11(12(17)19-21)13(14,15)16/h4-6,11,21H,3,7-8H2,1-2H3,(H2,17,19)
InChIKeyBOSULOGNBWCGGA-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.14
Rot. Bonds6

About 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide

2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (PubChem CID 103369996) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
PubChem CID103369996
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
SMILESCCN(Cc1cccc(C)n1)CC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C13H19F3N4O/c1-3-20(7-10-6-4-5-9(2)18-10)8-11(12(17)19-21)13(14,15)16/h4-6,11,21H,3,7-8H2,1-2H3,(H2,17,19)
InChIKeyBOSULOGNBWCGGA-UHFFFAOYSA-N
XLogP2.14
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide 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

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369312
(2S)-1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]propan-2-ol
CID 103935273
N'-hydroxy-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]ethanimidamide
CID 79267709
1-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylbutan-2-ol
CID 114495745
N-[(6-chloropyridazin-3-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 104513798
N'-(2,2-difluoroethyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 107494419
2-[(6-methyl-2-pyridinyl)methyl-propylamino]ethanethioamide
CID 79267093
2-[[(3-bromophenyl)methyl-methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369295
2-[(Z)-N'-hydroxycarbamimidoyl]-N,2-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 114293119
[6-[[bis[(6-methyl-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methanol
CID 102022866
1,4-bis[bis[(6-methyl-2-pyridinyl)methyl]amino]butan-2-ol
CID 100917591
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The IUPAC name of 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide (CID 103369996) is 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is CCN(Cc1cccc(C)n1)CC(/C(N)=N/O)C(F)(F)F.
What is the InChIKey of 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
The InChIKey is BOSULOGNBWCGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-20(7-10-6-4-5-9(2)18-10)8-11(12(17)19-21)13(14,15)16/h4-6,11,21H,3,7-8H2,1-2H3,(H2,17,19).
What are the key properties of 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide?
2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide has a molecular weight of 304.32 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).