2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H15F3N4O — CID 79868721

IUPAC2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCC(Nc2nc(C(F)(F)F)ccc2C(N)=O)C1
InChIInChI=1S/C12H15F3N4O/c1-19-5-4-7(6-19)17-11-8(10(16)20)2-3-9(18-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H2,16,20)(H,17,18)
InChIKeyCJJMAJFVUUDJJJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.32
Rot. Bonds3

About 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79868721) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79868721
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN1CCC(Nc2nc(C(F)(F)F)ccc2C(N)=O)C1
InChIInChI=1S/C12H15F3N4O/c1-19-5-4-7(6-19)17-11-8(10(16)20)2-3-9(18-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H2,16,20)(H,17,18)
InChIKeyCJJMAJFVUUDJJJ-UHFFFAOYSA-N
XLogP1.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide 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-[(3-hydroxycyclobutyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868949
2-[(2-hydroxycyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875532
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875709
2-(cyclopentylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876891
5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxamide
CID 114405789
2-(1-cyclopentylethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875671
2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 106256366
2-(cyclobutanecarbonylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 66611880
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875668
2-[3-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875720
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869612

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79868721) is 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is CN1CCC(Nc2nc(C(F)(F)F)ccc2C(N)=O)C1.
What is the InChIKey of 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CJJMAJFVUUDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-19-5-4-7(6-19)17-11-8(10(16)20)2-3-9(18-11)12(13,14)15/h2-3,7H,4-6H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrolidin-3-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79868721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).