N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H16F3N3O — CID 63709306

IUPACN-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H16F3N3O/c1-19(8-10-4-2-3-6-18-10)11(20)12(13(14,15)16)5-7-17-9-12/h2-4,6,17H,5,7-9H2,1H3
InChIKeyQPZJCAMJPHLNBY-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.58
Rot. Bonds3

About N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709306) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709306
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC NameN-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H16F3N3O/c1-19(8-10-4-2-3-6-18-10)11(20)12(13(14,15)16)5-7-17-9-12/h2-4,6,17H,5,7-9H2,1H3
InChIKeyQPZJCAMJPHLNBY-UHFFFAOYSA-N
XLogP1.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 63130322
1-amino-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 65466995
N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708224
N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 55167085
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79380351
1-cyano-N-methyl-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 61482749
N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81406521
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopentane-1-carboxamide
CID 76920403
1-carbamothioyl-N-methyl-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 80589192
N-(4-ethylphenyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708787
N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709696
2-(1,4-diazepan-1-yl)-N-methyl-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 43565765

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709306) is N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CN(Cc1ccccn1)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QPZJCAMJPHLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-19(8-10-4-2-3-6-18-10)11(20)12(13(14,15)16)5-7-17-9-12/h2-4,6,17H,5,7-9H2,1H3.
What are the key properties of N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).