6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide

C22H23FN4O3S — CID 59525909

IUPAC6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)nc1
InChIInChI=1S/C22H23FN4O3S/c1-22(2,30)13-6-7-14(16(23)9-13)17-10-15(19(24)28)20(31-17)26-18-8-5-12(11-25-18)21(29)27(3)4/h5-11,30H,1-4H3,(H2,24,28)(H,25,26)
InChIKeyFEWQWJZJEYKZRG-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.72
Rot. Bonds6

About 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 59525909) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID59525909
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)nc1
InChIInChI=1S/C22H23FN4O3S/c1-22(2,30)13-6-7-14(16(23)9-13)17-10-15(19(24)28)20(31-17)26-18-8-5-12(11-25-18)21(29)27(3)4/h5-11,30H,1-4H3,(H2,24,28)(H,25,26)
InChIKeyFEWQWJZJEYKZRG-UHFFFAOYSA-N
XLogP3.72
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 59525909) is 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)nc1.
What is the InChIKey of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is FEWQWJZJEYKZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-22(2,30)13-6-7-14(16(23)9-13)17-10-15(19(24)28)20(31-17)26-18-8-5-12(11-25-18)21(29)27(3)4/h5-11,30H,1-4H3,(H2,24,28)(H,25,26).
What are the key properties of 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-carbamoyl-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophen-2-yl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 59525909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).