1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

C17H21ClF3N3O2 — CID 166191312

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H21ClF3N3O2/c1-23(10-12-4-3-7-26-12)16(25)14-5-2-6-24(14)15-13(18)8-11(9-22-15)17(19,20)21/h8-9,12,14H,2-7,10H2,1H3
InChIKeyWLQBOVFZQJHTQE-UHFFFAOYSA-N
MW391.82 g/mol
LogP3.36
Rot. Bonds4

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 166191312) has the molecular formula C17H21ClF3N3O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID166191312
Molecular FormulaC17H21ClF3N3O2
Molecular Weight391.82 g/mol
Exact Mass391.13
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H21ClF3N3O2/c1-23(10-12-4-3-7-26-12)16(25)14-5-2-6-24(14)15-13(18)8-11(9-22-15)17(19,20)21/h8-9,12,14H,2-7,10H2,1H3
InChIKeyWLQBOVFZQJHTQE-UHFFFAOYSA-N
XLogP3.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032254
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110208974
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
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
1-(5-amino-3-chloro-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 114046115
3-chloro-N-(1,4-dioxan-2-ylmethyl)-N-methyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138024027
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 126445754
N-[[1-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 154833189
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62592867
(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 67953732
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-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide (CID 166191312) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is CN(CC1CCCO1)C(=O)C1CCCN1c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WLQBOVFZQJHTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClF3N3O2/c1-23(10-12-4-3-7-26-12)16(25)14-5-2-6-24(14)15-13(18)8-11(9-22-15)17(19,20)21/h8-9,12,14H,2-7,10H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 391.82 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methyl-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166191312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).