N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide

C14H11FN2O3 — CID 61293674

IUPACN-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide
SMILESO=C(NCc1cccc2c1OCO2)c1ccnc(F)c1
InChIInChI=1S/C14H11FN2O3/c15-12-6-9(4-5-16-12)14(18)17-7-10-2-1-3-11-13(10)20-8-19-11/h1-6H,7-8H2,(H,17,18)
InChIKeyZHPXXRHADMIUBB-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.88
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide

N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide (PubChem CID 61293674) has the molecular formula C14H11FN2O3 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide
PubChem CID61293674
Molecular FormulaC14H11FN2O3
Molecular Weight274.25 g/mol
Exact Mass274.08
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide
SMILESO=C(NCc1cccc2c1OCO2)c1ccnc(F)c1
InChIInChI=1S/C14H11FN2O3/c15-12-6-9(4-5-16-12)14(18)17-7-10-2-1-3-11-13(10)20-8-19-11/h1-6H,7-8H2,(H,17,18)
InChIKeyZHPXXRHADMIUBB-UHFFFAOYSA-N
XLogP1.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
CID 61212849
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridin-4-amine
CID 106194181
N-(1,3-benzodioxol-4-ylmethyl)-3-(chloromethyl)benzamide
CID 61210778
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-4-methylbenzamide
CID 79466746
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80711178
N-(1,3-benzodioxol-4-ylmethyl)-2-bromo-4-fluorobenzamide
CID 61149573
4-amino-N-(1,3-benzodioxol-4-ylmethyl)-2-fluorobenzamide
CID 107794291
2-[4-(1,3-benzodioxol-4-ylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119181952
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
N-(1,3-benzodioxol-4-ylmethyl)-2,4-dibromobenzamide
CID 103882622
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluoropyridine-4-carboxamide
CID 61293120
2-(1,3-benzodioxol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851878

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide (CID 61293674) is N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide is O=C(NCc1cccc2c1OCO2)c1ccnc(F)c1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is ZHPXXRHADMIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3/c15-12-6-9(4-5-16-12)14(18)17-7-10-2-1-3-11-13(10)20-8-19-11/h1-6H,7-8H2,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61293674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).