1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C12H12F3N3O3 — CID 64587765

IUPAC1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESNC(=O)c1cccc(N2CCC(C(=O)O)(C(F)(F)F)C2)n1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)11(10(20)21)4-5-18(6-11)8-3-1-2-7(17-8)9(16)19/h1-3H,4-6H2,(H2,16,19)(H,20,21)
InChIKeyDYWUERPYXNDDJY-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.02
Rot. Bonds3

About 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 64587765) has the molecular formula C12H12F3N3O3 and a molecular weight of 303.24 g/mol. Its IUPAC name is 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID64587765
Molecular FormulaC12H12F3N3O3
Molecular Weight303.24 g/mol
Exact Mass303.08
IUPAC Name1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESNC(=O)c1cccc(N2CCC(C(=O)O)(C(F)(F)F)C2)n1
InChIInChI=1S/C12H12F3N3O3/c13-12(14,15)11(10(20)21)4-5-18(6-11)8-3-1-2-7(17-8)9(16)19/h1-3H,4-6H2,(H2,16,19)(H,20,21)
InChIKeyDYWUERPYXNDDJY-UHFFFAOYSA-N
XLogP1.02
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 64587765) is 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is NC(=O)c1cccc(N2CCC(C(=O)O)(C(F)(F)F)C2)n1.
What is the InChIKey of 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is DYWUERPYXNDDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O3/c13-12(14,15)11(10(20)21)4-5-18(6-11)8-3-1-2-7(17-8)9(16)19/h1-3H,4-6H2,(H2,16,19)(H,20,21).
What are the key properties of 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 303.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64587765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).