N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide

C20H16N2O3 — CID 53148305

IUPACN-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H16N2O3/c23-20(15-8-9-17-18(11-15)25-13-24-17)22-12-16-7-4-10-21-19(16)14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,23)
InChIKeyFHCSBEYBKJFSEM-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.41
Rot. Bonds4

About N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 53148305) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID53148305
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC NameN-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cccnc1-c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H16N2O3/c23-20(15-8-9-17-18(11-15)25-13-24-17)22-12-16-7-4-10-21-19(16)14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,23)
InChIKeyFHCSBEYBKJFSEM-UHFFFAOYSA-N
XLogP3.41
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide (CID 53148305) is N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCc1cccnc1-c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is FHCSBEYBKJFSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20(15-8-9-17-18(11-15)25-13-24-17)22-12-16-7-4-10-21-19(16)14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,23).
What are the key properties of N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-3-pyridinyl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53148305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).