4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide

C22H17FN2O4 — CID 156870782

IUPAC4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
SMILESNC(=O)c1ccc(C(Oc2cc(F)c3c(c2)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C22H17FN2O4/c23-17-11-16(12-19-20(17)18(26)7-10-28-19)29-21(14-5-8-25-9-6-14)13-1-3-15(4-2-13)22(24)27/h1-6,8-9,11-12,21H,7,10H2,(H2,24,27)
InChIKeyPUHCHPQAHKXWDX-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.45
Rot. Bonds5

About 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide

4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide (PubChem CID 156870782) has the molecular formula C22H17FN2O4 and a molecular weight of 392.39 g/mol. Its IUPAC name is 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide.

Molecular Properties

Compound Name4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
PubChem CID156870782
Molecular FormulaC22H17FN2O4
Molecular Weight392.39 g/mol
Exact Mass392.12
IUPAC Name4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
SMILESNC(=O)c1ccc(C(Oc2cc(F)c3c(c2)OCCC3=O)c2ccncc2)cc1
InChIInChI=1S/C22H17FN2O4/c23-17-11-16(12-19-20(17)18(26)7-10-28-19)29-21(14-5-8-25-9-6-14)13-1-3-15(4-2-13)22(24)27/h1-6,8-9,11-12,21H,7,10H2,(H2,24,27)
InChIKeyPUHCHPQAHKXWDX-UHFFFAOYSA-N
XLogP3.45
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
The IUPAC name of 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide (CID 156870782) is 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide.
What is the SMILES notation for 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
The canonical SMILES for 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide is NC(=O)c1ccc(C(Oc2cc(F)c3c(c2)OCCC3=O)c2ccncc2)cc1.
What is the InChIKey of 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
The InChIKey is PUHCHPQAHKXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O4/c23-17-11-16(12-19-20(17)18(26)7-10-28-19)29-21(14-5-8-25-9-6-14)13-1-3-15(4-2-13)22(24)27/h1-6,8-9,11-12,21H,7,10H2,(H2,24,27).
What are the key properties of 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide?
4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide has a molecular weight of 392.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide is sourced from PubChem (CID 156870782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).