N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide

C17H19N3O3 — CID 119515043

IUPACN-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(N)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19N3O3/c1-17(2,16(21)20-12-4-6-15(18)19-10-12)11-3-5-13-14(9-11)23-8-7-22-13/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyQIKNZKKXQGUIMS-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.35
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide

N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (PubChem CID 119515043) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
PubChem CID119515043
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(N)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H19N3O3/c1-17(2,16(21)20-12-4-6-15(18)19-10-12)11-3-5-13-14(9-11)23-8-7-22-13/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyQIKNZKKXQGUIMS-UHFFFAOYSA-N
XLogP2.35
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 126781276
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-phenylpropanamide
CID 52794866
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113197977
N-(6-amino-3-pyridinyl)-2-methyl-2-[3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119515907
4-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoyl]amino]-N,N-diethylbenzamide
CID 52795032
N-(3-chloro-4-methoxyphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794943
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,6-dimethylphenyl)-2-methylpropanamide
CID 113197945
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide;hydrochloride
CID 120566384
N-(2-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 113197955
N-(1,3-benzodioxol-5-yl)-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197476
N-cyclooctyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide
CID 52794924
6-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyridine-3-carboxamide
CID 62151460

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide (CID 119515043) is N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(N)nc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
The InChIKey is QIKNZKKXQGUIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(2,16(21)20-12-4-6-15(18)19-10-12)11-3-5-13-14(9-11)23-8-7-22-13/h3-6,9-10H,7-8H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide?
N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide has a molecular weight of 313.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanamide is sourced from PubChem (CID 119515043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).