N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H16F3N3O — CID 81406521

IUPACN-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CCNC1)c1ccccn1
InChIInChI=1S/C13H16F3N3O/c1-9(10-4-2-3-6-18-10)19-11(20)12(13(14,15)16)5-7-17-8-12/h2-4,6,9,17H,5,7-8H2,1H3,(H,19,20)/t9-,12?/m1/s1
InChIKeyMOYJNJDFDNTDFQ-PKEIRNPWSA-N
MW287.28 g/mol
LogP1.80
Rot. Bonds3

About N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 81406521) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID81406521
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC NameN-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESC[C@@H](NC(=O)C1(C(F)(F)F)CCNC1)c1ccccn1
InChIInChI=1S/C13H16F3N3O/c1-9(10-4-2-3-6-18-10)19-11(20)12(13(14,15)16)5-7-17-8-12/h2-4,6,9,17H,5,7-8H2,1H3,(H,19,20)/t9-,12?/m1/s1
InChIKeyMOYJNJDFDNTDFQ-PKEIRNPWSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81409905
N-[(1R)-1-pyridin-3-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81404390
N-[(1R)-1-(2-chlorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81375337
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81352100
3-ethyl-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407453
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710910
1-amino-N-(1-pyridin-2-ylethyl)cyclobutane-1-carboxamide
CID 81179767
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
2-ethyl-N-[(1S)-1-pyridin-2-ylethyl]pyrrolidine-2-carboxamide
CID 83073993
N-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709306
N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 113376269
N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82945350

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 81406521) is N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is C[C@@H](NC(=O)C1(C(F)(F)F)CCNC1)c1ccccn1.
What is the InChIKey of N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is MOYJNJDFDNTDFQ-PKEIRNPWSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-9(10-4-2-3-6-18-10)19-11(20)12(13(14,15)16)5-7-17-8-12/h2-4,6,9,17H,5,7-8H2,1H3,(H,19,20)/t9-,12?/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-2-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 81406521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).