N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine

C19H16N2O2 — CID 112844052

IUPACN-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine
SMILESc1ccc(-c2ccc(NCc3cccc4c3OCO4)nc2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-5-14(6-3-1)15-9-10-18(20-11-15)21-12-16-7-4-8-17-19(16)23-13-22-17/h1-11H,12-13H2,(H,20,21)
InChIKeyRAOXJPGICSRUIF-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.09
Rot. Bonds4

About N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine

N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine (PubChem CID 112844052) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine
PubChem CID112844052
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine
SMILESc1ccc(-c2ccc(NCc3cccc4c3OCO4)nc2)cc1
InChIInChI=1S/C19H16N2O2/c1-2-5-14(6-3-1)15-9-10-18(20-11-15)21-12-16-7-4-8-17-19(16)23-13-22-17/h1-11H,12-13H2,(H,20,21)
InChIKeyRAOXJPGICSRUIF-UHFFFAOYSA-N
XLogP4.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133385479
4-(1,3-benzodioxol-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136974593
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-5-nitropyridin-2-amine
CID 133385570
N-(1,3-benzodioxol-4-ylmethyl)-1H-pyrazol-4-amine
CID 43583965
N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine
CID 107234328
N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine
CID 61242269
N-(5-phenyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 75493566
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779
N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372431
N-(1,3-benzodioxol-4-ylmethyl)-4-iodoaniline
CID 43583834
N-(1,3-benzodioxol-4-ylmethyl)-2-methylsulfanylaniline
CID 43683316

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine (CID 112844052) is N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine is c1ccc(-c2ccc(NCc3cccc4c3OCO4)nc2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine?
The InChIKey is RAOXJPGICSRUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-2-5-14(6-3-1)15-9-10-18(20-11-15)21-12-16-7-4-8-17-19(16)23-13-22-17/h1-11H,12-13H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine?
N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine has a molecular weight of 304.35 g/mol, XLogP of 4.09, 4 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)-5-phenylpyridin-2-amine is sourced from PubChem (CID 112844052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).