4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride

C18H23Cl2N3O4 — CID 120596723

IUPAC4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.Cl.Cl
InChIInChI=1S/C18H21N3O4.2ClH/c1-23-13(11-19)10-18(22)21-17-4-2-3-14(20-17)12-5-6-15-16(9-12)25-8-7-24-15;;/h2-6,9,13H,7-8,10-11,19H2,1H3,(H,20,21,22);2*1H
InChIKeyBOUQRSWDSKARLP-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.67
Rot. Bonds6

About 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride

4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride (PubChem CID 120596723) has the molecular formula C18H23Cl2N3O4 and a molecular weight of 416.31 g/mol. Its IUPAC name is 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
PubChem CID120596723
Molecular FormulaC18H23Cl2N3O4
Molecular Weight416.31 g/mol
Exact Mass415.11
IUPAC Name4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
SMILESCOC(CN)CC(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.Cl.Cl
InChIInChI=1S/C18H21N3O4.2ClH/c1-23-13(11-19)10-18(22)21-17-4-2-3-14(20-17)12-5-6-15-16(9-12)25-8-7-24-15;;/h2-6,9,13H,7-8,10-11,19H2,1H3,(H,20,21,22);2*1H
InChIKeyBOUQRSWDSKARLP-UHFFFAOYSA-N
XLogP2.67
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
CID 167960960
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119881915
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-4-methylpentanamide
CID 119881938
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3,3-dimethylbutanamide
CID 119881910
1-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154746744
methyl (3S)-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 99805623
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119881889
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
(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
4-amino-3-methoxy-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 120588022

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride (CID 120596723) is 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride is COC(CN)CC(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.Cl.Cl.
What is the InChIKey of 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride?
The InChIKey is BOUQRSWDSKARLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4.2ClH/c1-23-13(11-19)10-18(22)21-17-4-2-3-14(20-17)12-5-6-15-16(9-12)25-8-7-24-15;;/h2-6,9,13H,7-8,10-11,19H2,1H3,(H,20,21,22);2*1H.
What are the key properties of 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride?
4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride has a molecular weight of 416.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride is sourced from PubChem (CID 120596723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).