4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide

C22H16N2O3 — CID 2995798

IUPAC4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C22H16N2O3/c25-21(24-14-15-4-3-11-23-13-15)17-9-7-16(8-10-17)19-12-18-5-1-2-6-20(18)27-22(19)26/h1-13H,14H2,(H,24,25)
InChIKeyURSBOPHGBVVHIJ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.79
Rot. Bonds4

About 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide

4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 2995798) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID2995798
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C22H16N2O3/c25-21(24-14-15-4-3-11-23-13-15)17-9-7-16(8-10-17)19-12-18-5-1-2-6-20(18)27-22(19)26/h1-13H,14H2,(H,24,25)
InChIKeyURSBOPHGBVVHIJ-UHFFFAOYSA-N
XLogP3.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 2995798) is 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(-c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is URSBOPHGBVVHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c25-21(24-14-15-4-3-11-23-13-15)17-9-7-16(8-10-17)19-12-18-5-1-2-6-20(18)27-22(19)26/h1-13H,14H2,(H,24,25).
What are the key properties of 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 356.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxochromen-3-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 2995798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).