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

C22H29N3O4 — CID 145225456

IUPAC1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCC.CC1(C)OCc2cnc(C(N)=O)cc21.CN1C(=O)CCOc2ccccc21
InChIInChI=1S/C10H12N2O2.C10H11NO2.C2H6/c1-10(2)7-3-8(9(11)13)12-4-6(7)5-14-10;1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;1-2/h3-4H,5H2,1-2H3,(H2,11,13);2-5H,6-7H2,1H3;1-2H3
InChIKeyMMVUWWYZSWASEX-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.40
Rot. Bonds1

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

1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 145225456) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID145225456
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESCC.CC1(C)OCc2cnc(C(N)=O)cc21.CN1C(=O)CCOc2ccccc21
InChIInChI=1S/C10H12N2O2.C10H11NO2.C2H6/c1-10(2)7-3-8(9(11)13)12-4-6(7)5-14-10;1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;1-2/h3-4H,5H2,1-2H3,(H2,11,13);2-5H,6-7H2,1H3;1-2H3
InChIKeyMMVUWWYZSWASEX-UHFFFAOYSA-N
XLogP3.40
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-(methoxymethyl)-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145408034
5-[(4-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 144684504
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 145225301
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-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225708
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 145407982
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide
CID 140764731
7-[2-(3-methoxyoxetan-3-yl)ethynyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;4-phenoxypyridine-2-carboxamide
CID 156648215
7-[2-(4-hydroxyoxan-4-yl)ethynyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;4-phenoxypyridine-2-carboxamide
CID 156648191
(E)-7-(2-bromophenyl)-2-methoxyhept-6-enamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 143582546

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one (CID 145225456) is 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is CC.CC1(C)OCc2cnc(C(N)=O)cc21.CN1C(=O)CCOc2ccccc21.
What is the InChIKey of 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is MMVUWWYZSWASEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.C10H11NO2.C2H6/c1-10(2)7-3-8(9(11)13)12-4-6(7)5-14-10;1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;1-2/h3-4H,5H2,1-2H3,(H2,11,13);2-5H,6-7H2,1H3;1-2H3.
What are the key properties of 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one?
1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 399.49 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 145225456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).