1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C19H18F3N3O2 — CID 134798830

IUPAC1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)12-24-17(26)16-8-4-10-25(16)18(27)14-6-3-5-13(11-14)15-7-1-2-9-23-15/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,24,26)
InChIKeyVMUKVIKPUNMCNO-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.03
Rot. Bonds4

About 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 134798830) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID134798830
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)12-24-17(26)16-8-4-10-25(16)18(27)14-6-3-5-13(11-14)15-7-1-2-9-23-15/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,24,26)
InChIKeyVMUKVIKPUNMCNO-UHFFFAOYSA-N
XLogP3.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134799641
N-[2-(4-chlorophenyl)ethyl]-1-(3-pyridin-2-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134797544
N-(cyclopropylmethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803506
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669558
N-(2-cyclohexylethyl)-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134801025
1-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-N-(2,2,2-trifluoroethyl)pyrrolidine-1,2-dicarboxamide
CID 56554703
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55687454
N-(2-amino-2-ethylbutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119643109
1-(4-phenoxybutanoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55600518
1-[2-(2-ethylphenoxy)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669359
N-[(3-chlorophenyl)methyl]-1-(3-pyridin-3-ylbenzoyl)pyrrolidine-2-carboxamide
CID 134803976

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 134798830) is 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C(NCC(F)(F)F)C1CCCN1C(=O)c1cccc(-c2ccccn2)c1.
What is the InChIKey of 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is VMUKVIKPUNMCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)12-24-17(26)16-8-4-10-25(16)18(27)14-6-3-5-13(11-14)15-7-1-2-9-23-15/h1-3,5-7,9,11,16H,4,8,10,12H2,(H,24,26).
What are the key properties of 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-2-ylbenzoyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134798830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).