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

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875720
2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877395
2-(2,3-dimethylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 79876369
2-(cyclopentylmethylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79868718
2-(2,5-dimethylpiperazin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875880
4-[2-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
CID 115316995
methyl 2-(3-carbamoylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 126806850
2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79874724
2-[2-(methylaminomethyl)pyrrolidin-1-yl]pyridine-4-carboxamide
CID 113285409
[1-[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174652149
2-[4-[1-(dimethylamino)ethyl]piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 70735726
2-(3-amino-4-methylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 103577515

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).