5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide

C17H19ClF3N3O2S — CID 167637338

IUPAC5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
SMILESCN(C)CCCc1cc(NC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C17H19ClF3N3O2S/c1-23(2)5-3-4-10-6-11(8-24(17(10)26)9-14(20)21)22-16(25)13-7-12(19)15(18)27-13/h6-8,14H,3-5,9H2,1-2H3,(H,22,25)
InChIKeyOQXWHMUXQTUUOO-UHFFFAOYSA-N
MW421.87 g/mol
LogP3.71
Rot. Bonds8

About 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide

5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide (PubChem CID 167637338) has the molecular formula C17H19ClF3N3O2S and a molecular weight of 421.87 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
PubChem CID167637338
Molecular FormulaC17H19ClF3N3O2S
Molecular Weight421.87 g/mol
Exact Mass421.08
IUPAC Name5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide
SMILESCN(C)CCCc1cc(NC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O
InChIInChI=1S/C17H19ClF3N3O2S/c1-23(2)5-3-4-10-6-11(8-24(17(10)26)9-14(20)21)22-16(25)13-7-12(19)15(18)27-13/h6-8,14H,3-5,9H2,1-2H3,(H,22,25)
InChIKeyOQXWHMUXQTUUOO-UHFFFAOYSA-N
XLogP3.71
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.87
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide (CID 167637338) is 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide is CN(C)CCCc1cc(NC(=O)c2cc(F)c(Cl)s2)cn(CC(F)F)c1=O.
What is the InChIKey of 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
The InChIKey is OQXWHMUXQTUUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF3N3O2S/c1-23(2)5-3-4-10-6-11(8-24(17(10)26)9-14(20)21)22-16(25)13-7-12(19)15(18)27-13/h6-8,14H,3-5,9H2,1-2H3,(H,22,25).
What are the key properties of 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide?
5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide has a molecular weight of 421.87 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,2-difluoroethyl)-5-[3-(dimethylamino)propyl]-6-oxo-3-pyridinyl]-4-fluorothiophene-2-carboxamide is sourced from PubChem (CID 167637338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).