3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide

C20H15FN4O2S — CID 24876152

IUPAC3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(C)cncc2F)nc1
InChIInChI=1S/C20H15FN4O2S/c1-11-7-16(15-5-6-24-27-15)28-19(11)13-3-4-17(23-9-13)25-20(26)18-12(2)8-22-10-14(18)21/h3-10H,1-2H3,(H,23,25,26)
InChIKeySJTUGOQXIQCEGV-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.87
Rot. Bonds4

About 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide

3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24876152) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID24876152
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(C)cncc2F)nc1
InChIInChI=1S/C20H15FN4O2S/c1-11-7-16(15-5-6-24-27-15)28-19(11)13-3-4-17(23-9-13)25-20(26)18-12(2)8-22-10-14(18)21/h3-10H,1-2H3,(H,23,25,26)
InChIKeySJTUGOQXIQCEGV-UHFFFAOYSA-N
XLogP4.87
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24876152) is 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cc(-c2ccno2)sc1-c1ccc(NC(=O)c2c(C)cncc2F)nc1.
What is the InChIKey of 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is SJTUGOQXIQCEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-11-7-16(15-5-6-24-27-15)28-19(11)13-3-4-17(23-9-13)25-20(26)18-12(2)8-22-10-14(18)21/h3-10H,1-2H3,(H,23,25,26).
What are the key properties of 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-N-[5-[3-methyl-5-(1,2-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24876152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).