1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

C21H25N3O5 — CID 145408034

IUPAC1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2ccccc21.COCC1(C)OCc2cnc(C(N)=O)cc21
InChIInChI=1S/C11H14N2O3.C10H11NO2/c1-11(6-15-2)8-3-9(10(12)14)13-4-7(8)5-16-11;1-11-8-4-2-3-5-9(8)13-7-6-10(11)12/h3-4H,5-6H2,1-2H3,(H2,12,14);2-5H,6-7H2,1H3
InChIKeyUIUHXHVVBNNBLV-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.00
Rot. Bonds3

About 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one

1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 145408034) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID145408034
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCN1C(=O)CCOc2ccccc21.COCC1(C)OCc2cnc(C(N)=O)cc21
InChIInChI=1S/C11H14N2O3.C10H11NO2/c1-11(6-15-2)8-3-9(10(12)14)13-4-7(8)5-16-11;1-11-8-4-2-3-5-9(8)13-7-6-10(11)12/h3-4H,5-6H2,1-2H3,(H2,12,14);2-5H,6-7H2,1H3
InChIKeyUIUHXHVVBNNBLV-UHFFFAOYSA-N
XLogP2.00
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225456
5-[(4-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 144684504
tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen
CID 144684381
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)spiro[3H-furo[3,4-c]pyridine-1,4'-oxane]-6-carboxamide
CID 140764912
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 145225301
(E)-7-(2-bromophenyl)-2-methoxyhept-6-enamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 143582546
7-[2-(3-methoxyoxetan-3-yl)ethynyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;4-phenoxypyridine-2-carboxamide
CID 156648215
5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225708
1-benzyl-1,2,4-triazole-3-carboxamide;5-methyl-8-pyrrolidin-1-yl-2,3-dihydropyrido[4,3-b][1,4]oxazepin-4-one
CID 168952282
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 145407982
7-[2-(4-hydroxyoxan-4-yl)ethynyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;4-phenoxypyridine-2-carboxamide
CID 156648191
methyl 3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)prop-2-ynoate;molecular hydrogen;4-phenoxypyridine-2-carboxamide
CID 156648298

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 145408034) is 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is CN1C(=O)CCOc2ccccc21.COCC1(C)OCc2cnc(C(N)=O)cc21.
What is the InChIKey of 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is UIUHXHVVBNNBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.C10H11NO2/c1-11(6-15-2)8-3-9(10(12)14)13-4-7(8)5-16-11;1-11-8-4-2-3-5-9(8)13-7-6-10(11)12/h3-4H,5-6H2,1-2H3,(H2,12,14);2-5H,6-7H2,1H3.
What are the key properties of 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 399.45 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 145408034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).