3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine

C14H14F3N3 — CID 104534362

IUPAC3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
SMILESCNc1cncc(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H14F3N3/c1-18-12-6-13(9-19-8-12)20-7-10-2-4-11(5-3-10)14(15,16)17/h2-6,8-9,18,20H,7H2,1H3
InChIKeyKHERADYUGUADPT-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.75
Rot. Bonds4

About 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine

3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine (PubChem CID 104534362) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
PubChem CID104534362
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine
SMILESCNc1cncc(NCc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H14F3N3/c1-18-12-6-13(9-19-8-12)20-7-10-2-4-11(5-3-10)14(15,16)17/h2-6,8-9,18,20H,7H2,1H3
InChIKeyKHERADYUGUADPT-UHFFFAOYSA-N
XLogP3.75
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine 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-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine;dihydrochloride
CID 71432458
5-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-N-methylpyridine-3,5-diamine
CID 104535355
3-N-propyl-5-N-(pyridin-4-ylmethyl)pyridine-3,5-diamine
CID 104532744
N-methyl-1-phenylmethanamine;N-methyl-4-(trifluoromethyl)aniline
CID 143206265
N-methyl-5-(trifluoromethyl)pyridin-3-amine;pyridine
CID 21221267
5-N-[(4-bromophenyl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104532080
3-N-methyl-5-N-(1,2-oxazol-5-ylmethyl)pyridine-3,5-diamine
CID 106424548
N-[(5-methyl-3-pyridinyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103864336
5-(methylamino)-2-[[4-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 103218535
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indazol-6-amine
CID 5333527
5-bromo-2-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80806527

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine?
The IUPAC name of 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine (CID 104534362) is 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine.
What is the SMILES notation for 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine?
The canonical SMILES for 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine is CNc1cncc(NCc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine?
The InChIKey is KHERADYUGUADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-18-12-6-13(9-19-8-12)20-7-10-2-4-11(5-3-10)14(15,16)17/h2-6,8-9,18,20H,7H2,1H3.
What are the key properties of 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine?
3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine has a molecular weight of 281.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-5-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3,5-diamine is sourced from PubChem (CID 104534362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).