1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide

C13H15ClF3N3O — CID 134032254

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H15ClF3N3O/c1-19(2)12(21)10-4-3-5-20(10)11-9(14)6-8(7-18-11)13(15,16)17/h6-7,10H,3-5H2,1-2H3
InChIKeyIJDDMOWJAZMHMY-UHFFFAOYSA-N
MW321.73 g/mol
LogP2.81
Rot. Bonds2

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 134032254) has the molecular formula C13H15ClF3N3O and a molecular weight of 321.73 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID134032254
Molecular FormulaC13H15ClF3N3O
Molecular Weight321.73 g/mol
Exact Mass321.09
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H15ClF3N3O/c1-19(2)12(21)10-4-3-5-20(10)11-9(14)6-8(7-18-11)13(15,16)17/h6-7,10H,3-5H2,1-2H3
InChIKeyIJDDMOWJAZMHMY-UHFFFAOYSA-N
XLogP2.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110208974
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 166191312
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115
N'-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(4-methylbenzoyl)pyrrolidine-2-carbohydrazide
CID 110208536
1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331240
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62592867
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 62274622
N-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 166600949
N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 154833189
3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 63392201

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 134032254) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is IJDDMOWJAZMHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N3O/c1-19(2)12(21)10-4-3-5-20(10)11-9(14)6-8(7-18-11)13(15,16)17/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 321.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134032254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).