N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide

C9H10F3N3O — CID 171823264

IUPACN-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
SMILESCN(C=O)NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O/c1-15(6-16)14-5-8-3-2-7(4-13-8)9(10,11)12/h2-4,6,14H,5H2,1H3
InChIKeyQXHNKIDCEBECTN-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.19
Rot. Bonds4

About N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide

N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide (PubChem CID 171823264) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide.

Molecular Properties

Compound NameN-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
PubChem CID171823264
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide
SMILESCN(C=O)NCc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H10F3N3O/c1-15(6-16)14-5-8-3-2-7(4-13-8)9(10,11)12/h2-4,6,14H,5H2,1H3
InChIKeyQXHNKIDCEBECTN-UHFFFAOYSA-N
XLogP1.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide 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

1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431
N-butyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 169111334
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641
N'-(2-methylpropyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,3-diamine
CID 114908451
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methylamino]-N-methylformamide;oxetane
CID 171823598
1-methyl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]ethylsulfanyl]urea
CID 88819947
2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
CID 174326305
5-[[[5-(trifluoromethyl)-2-pyridinyl]methylamino]methyl]-1,3-thiazol-2-amine
CID 166719325
1-N-tert-butyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908428
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide?
The IUPAC name of N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide (CID 171823264) is N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide.
What is the SMILES notation for N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide?
The canonical SMILES for N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide is CN(C=O)NCc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide?
The InChIKey is QXHNKIDCEBECTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-15(6-16)14-5-8-3-2-7(4-13-8)9(10,11)12/h2-4,6,14H,5H2,1H3.
What are the key properties of N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide?
N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide has a molecular weight of 233.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]formamide is sourced from PubChem (CID 171823264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).