N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide

C19H14FN3O3 — CID 113036145

IUPACN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc3c(c2)OCO3)cn1)c1ccccc1F
InChIInChI=1S/C19H14FN3O3/c20-15-4-2-1-3-14(15)19(24)23-18-8-6-13(10-21-18)22-12-5-7-16-17(9-12)26-11-25-16/h1-10,22H,11H2,(H,21,23,24)
InChIKeyDFZVLXRMKDAGEO-UHFFFAOYSA-N
MW351.34 g/mol
LogP3.95
Rot. Bonds4

About N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide (PubChem CID 113036145) has the molecular formula C19H14FN3O3 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
PubChem CID113036145
Molecular FormulaC19H14FN3O3
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC NameN-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2ccc3c(c2)OCO3)cn1)c1ccccc1F
InChIInChI=1S/C19H14FN3O3/c20-15-4-2-1-3-14(15)19(24)23-18-8-6-13(10-21-18)22-12-5-7-16-17(9-12)26-11-25-16/h1-10,22H,11H2,(H,21,23,24)
InChIKeyDFZVLXRMKDAGEO-UHFFFAOYSA-N
XLogP3.95
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methylbenzamide
CID 113036144
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-4-methoxybenzamide
CID 113036150
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]butanamide
CID 113036130
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113028205
2-fluoro-N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]benzamide
CID 113034912
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113036157
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113036236
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-2-chlorobenzamide
CID 113050240
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
N-[5-(2,6-dimethylanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113032271

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide (CID 113036145) is N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(Nc2ccc3c(c2)OCO3)cn1)c1ccccc1F.
What is the InChIKey of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is DFZVLXRMKDAGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3/c20-15-4-2-1-3-14(15)19(24)23-18-8-6-13(10-21-18)22-12-5-7-16-17(9-12)26-11-25-16/h1-10,22H,11H2,(H,21,23,24).
What are the key properties of N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide?
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 351.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 113036145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).