4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide

C23H18N2O3 — CID 20970610

IUPAC4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3ccccn3)oc(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O3/c1-15-9-11-16(12-10-15)20-18-7-2-3-8-19(18)23(27)28-21(20)22(26)25-14-17-6-4-5-13-24-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyIHSKFYJXOVKHOQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.09
Rot. Bonds4

About 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide

4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide (PubChem CID 20970610) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide
PubChem CID20970610
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCc3ccccn3)oc(=O)c3ccccc23)cc1
InChIInChI=1S/C23H18N2O3/c1-15-9-11-16(12-10-15)20-18-7-2-3-8-19(18)23(27)28-21(20)22(26)25-14-17-6-4-5-13-24-17/h2-13H,14H2,1H3,(H,25,26)
InChIKeyIHSKFYJXOVKHOQ-UHFFFAOYSA-N
XLogP4.09
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide (CID 20970610) is 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide is Cc1ccc(-c2c(C(=O)NCc3ccccn3)oc(=O)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide?
The InChIKey is IHSKFYJXOVKHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-9-11-16(12-10-15)20-18-7-2-3-8-19(18)23(27)28-21(20)22(26)25-14-17-6-4-5-13-24-17/h2-13H,14H2,1H3,(H,25,26).
What are the key properties of 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide?
4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-oxo-N-(pyridin-2-ylmethyl)isochromene-3-carboxamide is sourced from PubChem (CID 20970610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).