N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C18H23Cl2N3O3 — CID 119881915

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-12(11-19-2)18(22)21-17-5-3-4-14(20-17)13-6-7-15-16(10-13)24-9-8-23-15;;/h3-7,10,12,19H,8-9,11H2,1-2H3,(H,20,21,22);2*1H
InChIKeyVCFJWUVJHPVZGZ-UHFFFAOYSA-N
MW400.31 g/mol
LogP3.16
Rot. Bonds5

About N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119881915) has the molecular formula C18H23Cl2N3O3 and a molecular weight of 400.31 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119881915
Molecular FormulaC18H23Cl2N3O3
Molecular Weight400.31 g/mol
Exact Mass399.11
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.Cl.Cl
InChIInChI=1S/C18H21N3O3.2ClH/c1-12(11-19-2)18(22)21-17-5-3-4-14(20-17)13-6-7-15-16(10-13)24-9-8-23-15;;/h3-7,10,12,19H,8-9,11H2,1-2H3,(H,20,21,22);2*1H
InChIKeyVCFJWUVJHPVZGZ-UHFFFAOYSA-N
XLogP3.16
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
CID 119881938
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
CID 167960960
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3,3-dimethylbutanamide
CID 119881910
4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
CID 120596723
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
1-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154746744
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119881889
(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941450
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
3-(difluoromethylsulfanyl)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 86900283

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119881915) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.Cl.Cl.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is VCFJWUVJHPVZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3.2ClH/c1-12(11-19-2)18(22)21-17-5-3-4-14(20-17)13-6-7-15-16(10-13)24-9-8-23-15;;/h3-7,10,12,19H,8-9,11H2,1-2H3,(H,20,21,22);2*1H.
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 400.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119881915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).