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

C17H19N3O3 — CID 167960960

IUPACN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H19N3O3/c1-18-8-7-17(21)20-16-4-2-3-13(19-16)12-5-6-14-15(11-12)23-10-9-22-14/h2-6,11,18H,7-10H2,1H3,(H,19,20,21)
InChIKeyFRMZYIYSYILODN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.07
Rot. Bonds5

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

N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide (PubChem CID 167960960) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
PubChem CID167960960
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C17H19N3O3/c1-18-8-7-17(21)20-16-4-2-3-13(19-16)12-5-6-14-15(11-12)23-10-9-22-14/h2-6,11,18H,7-10H2,1H3,(H,19,20,21)
InChIKeyFRMZYIYSYILODN-UHFFFAOYSA-N
XLogP2.07
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
CID 120596723
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
(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
(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941450
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
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 17455509
(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 99805629
N-[4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]phenyl]-3-methylbut-2-enamide
CID 46084859

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide?
The IUPAC name of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide (CID 167960960) is N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide?
The canonical SMILES for N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide is CNCCC(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide?
The InChIKey is FRMZYIYSYILODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-18-8-7-17(21)20-16-4-2-3-13(19-16)12-5-6-14-15(11-12)23-10-9-22-14/h2-6,11,18H,7-10H2,1H3,(H,19,20,21).
What are the key properties of N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide?
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide has a molecular weight of 313.36 g/mol, XLogP of 2.07, 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]-3-(methylamino)propanamide is sourced from PubChem (CID 167960960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).