N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C22H19FN6O2 — CID 138589534

IUPACN-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(F)c3)ccc2nn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C22H19FN6O2/c23-17-8-16(10-25-11-17)14-1-2-18-15(7-14)9-20(29-28-18)27-21(30)19-12-31-22(26-19)13-3-5-24-6-4-13/h1-2,7-13,24H,3-6H2,(H,27,29,30)
InChIKeyKCBJAXAJICLRRI-UHFFFAOYSA-N
MW418.43 g/mol
LogP3.54
Rot. Bonds4

About N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 138589534) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID138589534
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncc(F)c3)ccc2nn1)c1coc(C2CCNCC2)n1
InChIInChI=1S/C22H19FN6O2/c23-17-8-16(10-25-11-17)14-1-2-18-15(7-14)9-20(29-28-18)27-21(30)19-12-31-22(26-19)13-3-5-24-6-4-13/h1-2,7-13,24H,3-6H2,(H,27,29,30)
InChIKeyKCBJAXAJICLRRI-UHFFFAOYSA-N
XLogP3.54
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 138589534) is N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is O=C(Nc1cc2cc(-c3cncc(F)c3)ccc2nn1)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is KCBJAXAJICLRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c23-17-8-16(10-25-11-17)14-1-2-18-15(7-14)9-20(29-28-18)27-21(30)19-12-31-22(26-19)13-3-5-24-6-4-13/h1-2,7-13,24H,3-6H2,(H,27,29,30).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)cinnolin-3-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138589534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).