2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C14H21F3N4 — CID 102717716

IUPAC2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NC2CCCN(C)C2)n1
InChIInChI=1S/C14H21F3N4/c1-3-18-12-7-10(14(15,16)17)8-13(20-12)19-11-5-4-6-21(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyUKFIZGICLHYMBR-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.04
Rot. Bonds4

About 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717716) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717716
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC Name2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(NC2CCCN(C)C2)n1
InChIInChI=1S/C14H21F3N4/c1-3-18-12-7-10(14(15,16)17)8-13(20-12)19-11-5-4-6-21(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyUKFIZGICLHYMBR-UHFFFAOYSA-N
XLogP3.04
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715566
2-N-ethyl-6-N-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717660
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
2-N-ethyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717341
6-N-(1-ethylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717902
2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexan-1-ol
CID 102718306
2-N-ethyl-6-N-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719089
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
6-hydrazinyl-N-(1-methylpiperidin-3-yl)-2-propylpyrimidin-4-amine
CID 80947154
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
N-ethyl-6-piperidin-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102717200
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80941716

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717716) is 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(NC2CCCN(C)C2)n1.
What is the InChIKey of 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is UKFIZGICLHYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-3-18-12-7-10(14(15,16)17)8-13(20-12)19-11-5-4-6-21(2)9-11/h7-8,11H,3-6,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(1-methylpiperidin-3-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).