1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

C19H20N4O2 — CID 47610678

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCC2COc3ccccc3O2)c(-c2ccncc2)n1
InChIInChI=1S/C19H20N4O2/c1-23-12-15(19(22-23)14-6-8-20-9-7-14)10-21-11-16-13-24-17-4-2-3-5-18(17)25-16/h2-9,12,16,21H,10-11,13H2,1H3
InChIKeyXVUFWSKDDFKKPG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.41
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 47610678) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
PubChem CID47610678
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCC2COc3ccccc3O2)c(-c2ccncc2)n1
InChIInChI=1S/C19H20N4O2/c1-23-12-15(19(22-23)14-6-8-20-9-7-14)10-21-11-16-13-24-17-4-2-3-5-18(17)25-16/h2-9,12,16,21H,10-11,13H2,1H3
InChIKeyXVUFWSKDDFKKPG-UHFFFAOYSA-N
XLogP2.41
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66410912
1-[(2R)-1,4-dioxan-2-yl]-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 95152409
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351720
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 98753299
N-[(5-chloro-2-fluorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 115761415
N,N-dimethyl-1-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 47611796
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(2-ethoxyphenyl)methyl]methanamine
CID 78804473
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(4-methylphenyl)methyl]methanamine
CID 43182095
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 115651371
1-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 82461345

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (CID 47610678) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCC2COc3ccccc3O2)c(-c2ccncc2)n1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is XVUFWSKDDFKKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23-12-15(19(22-23)14-6-8-20-9-7-14)10-21-11-16-13-24-17-4-2-3-5-18(17)25-16/h2-9,12,16,21H,10-11,13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 336.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47610678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).