6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide

C23H24F2N4O4S — CID 68739696

IUPAC6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
SMILESCC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(=O)N(C)CCO)n3)s2)c(F)c1
InChIInChI=1S/C23H24F2N4O4S/c1-12(31)8-13-9-15(24)20(16(25)10-13)18-11-14(21(26)32)22(34-18)28-19-5-3-4-17(27-19)23(33)29(2)6-7-30/h3-5,9-12,30-31H,6-8H2,1-2H3,(H2,26,32)(H,27,28)
InChIKeyFHQUNJPDLPOYDG-UHFFFAOYSA-N
MW490.53 g/mol
LogP2.92
Rot. Bonds9

About 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide

6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide (PubChem CID 68739696) has the molecular formula C23H24F2N4O4S and a molecular weight of 490.53 g/mol. Its IUPAC name is 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
PubChem CID68739696
Molecular FormulaC23H24F2N4O4S
Molecular Weight490.53 g/mol
Exact Mass490.15
IUPAC Name6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
SMILESCC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(=O)N(C)CCO)n3)s2)c(F)c1
InChIInChI=1S/C23H24F2N4O4S/c1-12(31)8-13-9-15(24)20(16(25)10-13)18-11-14(21(26)32)22(34-18)28-19-5-3-4-17(27-19)23(33)29(2)6-7-30/h3-5,9-12,30-31H,6-8H2,1-2H3,(H2,26,32)(H,27,28)
InChIKeyFHQUNJPDLPOYDG-UHFFFAOYSA-N
XLogP2.92
TPSA128.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide (CID 68739696) is 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide is CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C(=O)N(C)CCO)n3)s2)c(F)c1.
What is the InChIKey of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is FHQUNJPDLPOYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O4S/c1-12(31)8-13-9-15(24)20(16(25)10-13)18-11-14(21(26)32)22(34-18)28-19-5-3-4-17(27-19)23(33)29(2)6-7-30/h3-5,9-12,30-31H,6-8H2,1-2H3,(H2,26,32)(H,27,28).
What are the key properties of 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide?
6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 490.53 g/mol, XLogP of 2.92, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-carbamoyl-5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]thiophen-2-yl]amino]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 68739696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).