2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine

C12H17F3N2 — CID 135135451

IUPAC2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1C=C(C(F)(F)F)C=C(CC2CCNC2)N1
InChIInChI=1S/C12H17F3N2/c1-8-4-10(12(13,14)15)6-11(17-8)5-9-2-3-16-7-9/h4,6,8-9,16-17H,2-3,5,7H2,1H3
InChIKeyVSZXGUNIKDOVGX-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.35
Rot. Bonds2

About 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine

2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 135135451) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID135135451
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1C=C(C(F)(F)F)C=C(CC2CCNC2)N1
InChIInChI=1S/C12H17F3N2/c1-8-4-10(12(13,14)15)6-11(17-8)5-9-2-3-16-7-9/h4,6,8-9,16-17H,2-3,5,7H2,1H3
InChIKeyVSZXGUNIKDOVGX-UHFFFAOYSA-N
XLogP2.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine 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

3-fluoro-4-[(2R)-pyrrolidin-2-yl]cyclohexa-1,5-dien-1-amine
CID 68024007
8-N-(3,3-difluorobutan-2-yl)-1,8a-dihydronaphthalene-1,8-diamine
CID 89637017
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
(Z)-1-(4-aminocyclohexa-2,4-dien-1-yl)-5,5-difluoro-2-N-methylhex-2-ene-2,4-diamine
CID 130179797
1-Fluoro-3-[4-(3-fluoro-3-methylpyrrolidin-1-yl)cyclohexa-1,5-dien-1-yl]butan-2-amine
CID 134316503
6-(Pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine
CID 135135231
3,5-Difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135408
3-Fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135496
3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole
CID 135193103
3-butyl-2,7-dimethyl-6-(trifluoromethyl)-7,7a-dihydro-1H-benzotriazole
CID 138535118
6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole
CID 138572081
4-[(3-Methylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-7-azabicyclo[4.2.0]octa-1(6),2-diene
CID 139361174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine (CID 135135451) is 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine is CC1C=C(C(F)(F)F)C=C(CC2CCNC2)N1.
What is the InChIKey of 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is VSZXGUNIKDOVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-8-4-10(12(13,14)15)6-11(17-8)5-9-2-3-16-7-9/h4,6,8-9,16-17H,2-3,5,7H2,1H3.
What are the key properties of 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine?
2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 246.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyrrolidin-3-ylmethyl)-4-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 135135451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).