N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C18H20F3N3O4S — CID 154885991

IUPACN-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)n(NC(=O)c2ccc(C3CCCN3)s2)c(=O)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N3O2S.C2HF3O2/c1-10-8-11(2)19(15(20)9-10)18-16(21)14-6-5-13(22-14)12-4-3-7-17-12;3-2(4,5)1(6)7/h5-6,8-9,12,17H,3-4,7H2,1-2H3,(H,18,21);(H,6,7)
InChIKeyFJSRBHYVFXHTBF-UHFFFAOYSA-N
MW431.44 g/mol
LogP2.97
Rot. Bonds3

About N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154885991) has the molecular formula C18H20F3N3O4S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154885991
Molecular FormulaC18H20F3N3O4S
Molecular Weight431.44 g/mol
Exact Mass431.11
IUPAC NameN-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(C)n(NC(=O)c2ccc(C3CCCN3)s2)c(=O)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N3O2S.C2HF3O2/c1-10-8-11(2)19(15(20)9-10)18-16(21)14-6-5-13(22-14)12-4-3-7-17-12;3-2(4,5)1(6)7/h5-6,8-9,12,17H,3-4,7H2,1-2H3,(H,18,21);(H,6,7)
InChIKeyFJSRBHYVFXHTBF-UHFFFAOYSA-N
XLogP2.97
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154885991) is N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(C)n(NC(=O)c2ccc(C3CCCN3)s2)c(=O)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FJSRBHYVFXHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.C2HF3O2/c1-10-8-11(2)19(15(20)9-10)18-16(21)14-6-5-13(22-14)12-4-3-7-17-12;3-2(4,5)1(6)7/h5-6,8-9,12,17H,3-4,7H2,1-2H3,(H,18,21);(H,6,7).
What are the key properties of N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 431.44 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-oxo-1-pyridinyl)-5-pyrrolidin-2-ylthiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154885991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).