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

C19H12F2N4O2S — CID 24875967

IUPAC3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2c(F)cncc2F)nc1
InChIInChI=1S/C19H12F2N4O2S/c1-10-4-15(14-8-23-9-27-14)28-18(10)11-2-3-16(24-5-11)25-19(26)17-12(20)6-22-7-13(17)21/h2-9H,1H3,(H,24,25,26)
InChIKeyTYRAHOLIXRSUMC-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.70
Rot. Bonds4

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

3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24875967) has the molecular formula C19H12F2N4O2S and a molecular weight of 398.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID24875967
Molecular FormulaC19H12F2N4O2S
Molecular Weight398.39 g/mol
Exact Mass398.06
IUPAC Name3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2c(F)cncc2F)nc1
InChIInChI=1S/C19H12F2N4O2S/c1-10-4-15(14-8-23-9-27-14)28-18(10)11-2-3-16(24-5-11)25-19(26)17-12(20)6-22-7-13(17)21/h2-9H,1H3,(H,24,25,26)
InChIKeyTYRAHOLIXRSUMC-UHFFFAOYSA-N
XLogP4.70
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24875967) is 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cc(-c2cnco2)sc1-c1ccc(NC(=O)c2c(F)cncc2F)nc1.
What is the InChIKey of 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is TYRAHOLIXRSUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2S/c1-10-4-15(14-8-23-9-27-14)28-18(10)11-2-3-16(24-5-11)25-19(26)17-12(20)6-22-7-13(17)21/h2-9H,1H3,(H,24,25,26).
What are the key properties of 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[5-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24875967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).