2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

C20H16F2N4O2S — CID 25128118

IUPAC2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C#N)n3)s2)c(F)c1
InChIInChI=1S/C20H16F2N4O2S/c1-20(2,28)10-6-13(21)17(14(22)7-10)15-8-12(18(24)27)19(29-15)26-16-5-3-4-11(9-23)25-16/h3-8,28H,1-2H3,(H2,24,27)(H,25,26)
InChIKeyHJFHJDLHKLIKJR-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.03
Rot. Bonds5

About 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide

2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 25128118) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
PubChem CID25128118
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
SMILESCC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C#N)n3)s2)c(F)c1
InChIInChI=1S/C20H16F2N4O2S/c1-20(2,28)10-6-13(21)17(14(22)7-10)15-8-12(18(24)27)19(29-15)26-16-5-3-4-11(9-23)25-16/h3-8,28H,1-2H3,(H2,24,27)(H,25,26)
InChIKeyHJFHJDLHKLIKJR-UHFFFAOYSA-N
XLogP4.03
TPSA112.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 25128118) is 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C#N)n3)s2)c(F)c1.
What is the InChIKey of 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is HJFHJDLHKLIKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-20(2,28)10-6-13(21)17(14(22)7-10)15-8-12(18(24)27)19(29-15)26-16-5-3-4-11(9-23)25-16/h3-8,28H,1-2H3,(H2,24,27)(H,25,26).
What are the key properties of 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?
2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-2-pyridinyl)amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 25128118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).