2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C13H17F3N4O — CID 115317036

IUPAC2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNCC1CCCN1c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H17F3N4O/c1-18-7-8-3-2-6-20(8)12-9(11(17)21)4-5-10(19-12)13(14,15)16/h4-5,8,18H,2-3,6-7H2,1H3,(H2,17,21)
InChIKeyZWCPQMAAIYMMGP-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.39
Rot. Bonds4

About 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 115317036) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID115317036
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNCC1CCCN1c1nc(C(F)(F)F)ccc1C(N)=O
InChIInChI=1S/C13H17F3N4O/c1-18-7-8-3-2-6-20(8)12-9(11(17)21)4-5-10(19-12)13(14,15)16/h4-5,8,18H,2-3,6-7H2,1H3,(H2,17,21)
InChIKeyZWCPQMAAIYMMGP-UHFFFAOYSA-N
XLogP1.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 115317036) is 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is CNCC1CCCN1c1nc(C(F)(F)F)ccc1C(N)=O.
What is the InChIKey of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZWCPQMAAIYMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-18-7-8-3-2-6-20(8)12-9(11(17)21)4-5-10(19-12)13(14,15)16/h4-5,8,18H,2-3,6-7H2,1H3,(H2,17,21).
What are the key properties of 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 115317036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).