N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C20H15FN2O4 — CID 7422757

IUPACN-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H15FN2O4/c21-14-5-3-13(4-6-14)11-23-9-1-2-16(20(23)25)19(24)22-15-7-8-17-18(10-15)27-12-26-17/h1-10H,11-12H2,(H,22,24)
InChIKeyDMLIOJRHQJMAAO-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.02
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7422757) has the molecular formula C20H15FN2O4 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7422757
Molecular FormulaC20H15FN2O4
Molecular Weight366.35 g/mol
Exact Mass366.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C20H15FN2O4/c21-14-5-3-13(4-6-14)11-23-9-1-2-16(20(23)25)19(24)22-15-7-8-17-18(10-15)27-12-26-17/h1-10H,11-12H2,(H,22,24)
InChIKeyDMLIOJRHQJMAAO-UHFFFAOYSA-N
XLogP3.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7422757) is N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DMLIOJRHQJMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O4/c21-14-5-3-13(4-6-14)11-23-9-1-2-16(20(23)25)19(24)22-15-7-8-17-18(10-15)27-12-26-17/h1-10H,11-12H2,(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).