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

C18H12FN5O2S — CID 24876238

IUPAC3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2nnco2)sc1-c1ccc(NC(=O)c2ccncc2F)nc1
InChIInChI=1S/C18H12FN5O2S/c1-10-6-14(18-24-22-9-26-18)27-16(10)11-2-3-15(21-7-11)23-17(25)12-4-5-20-8-13(12)19/h2-9H,1H3,(H,21,23,25)
InChIKeyNTBFYSQWMJKSPD-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.95
Rot. Bonds4

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

3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 24876238) has the molecular formula C18H12FN5O2S and a molecular weight of 381.39 g/mol. Its IUPAC name is 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID24876238
Molecular FormulaC18H12FN5O2S
Molecular Weight381.39 g/mol
Exact Mass381.07
IUPAC Name3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
SMILESCc1cc(-c2nnco2)sc1-c1ccc(NC(=O)c2ccncc2F)nc1
InChIInChI=1S/C18H12FN5O2S/c1-10-6-14(18-24-22-9-26-18)27-16(10)11-2-3-15(21-7-11)23-17(25)12-4-5-20-8-13(12)19/h2-9H,1H3,(H,21,23,25)
InChIKeyNTBFYSQWMJKSPD-UHFFFAOYSA-N
XLogP3.95
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide (CID 24876238) is 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is Cc1cc(-c2nnco2)sc1-c1ccc(NC(=O)c2ccncc2F)nc1.
What is the InChIKey of 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is NTBFYSQWMJKSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2S/c1-10-6-14(18-24-22-9-26-18)27-16(10)11-2-3-15(21-7-11)23-17(25)12-4-5-20-8-13(12)19/h2-9H,1H3,(H,21,23,25).
What are the key properties of 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide?
3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-[3-methyl-5-(1,3,4-oxadiazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 24876238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).