N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

C21H18FN3O3 — CID 113028205

IUPACN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H18FN3O3/c22-17-4-2-1-3-14(17)9-10-23-16-6-8-20(24-12-16)25-21(26)15-5-7-18-19(11-15)28-13-27-18/h1-8,11-12,23H,9-10,13H2,(H,24,25,26)
InChIKeyMAYMMUSGQKGXQQ-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.86
Rot. Bonds6

About N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide

N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113028205) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
PubChem CID113028205
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC NameN-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCCc2ccccc2F)cn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C21H18FN3O3/c22-17-4-2-1-3-14(17)9-10-23-16-6-8-20(24-12-16)25-21(26)15-5-7-18-19(11-15)28-13-27-18/h1-8,11-12,23H,9-10,13H2,(H,24,25,26)
InChIKeyMAYMMUSGQKGXQQ-UHFFFAOYSA-N
XLogP3.86
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-phenylpropylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113029836
3-fluoro-N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028182
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3,4-dimethoxybenzamide
CID 113028190
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113028186
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-3-methoxybenzamide
CID 113028185
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113025652
N-[5-(1,3-benzodioxol-5-ylamino)-2-pyridinyl]-2-fluorobenzamide
CID 113036145
N-(1,3-benzodioxol-5-yl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158270
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
N-[5-(2-chloroanilino)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113033223
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide (CID 113028205) is N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(NCCc2ccccc2F)cn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MAYMMUSGQKGXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-17-4-2-1-3-14(17)9-10-23-16-6-8-20(24-12-16)25-21(26)15-5-7-18-19(11-15)28-13-27-18/h1-8,11-12,23H,9-10,13H2,(H,24,25,26).
What are the key properties of N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide?
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113028205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).