1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one

C17H20N2O2 — CID 60932042

IUPAC1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one
SMILESCc1cccc2c1OCCCC2Nc1ccc(=O)n(C)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-6-14-15(7-4-10-21-17(12)14)18-13-8-9-16(20)19(2)11-13/h3,5-6,8-9,11,15,18H,4,7,10H2,1-2H3
InChIKeyMVHCJHFJZDEJHY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.02
Rot. Bonds2

About 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one

1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one (PubChem CID 60932042) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one
PubChem CID60932042
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one
SMILESCc1cccc2c1OCCCC2Nc1ccc(=O)n(C)c1
InChIInChI=1S/C17H20N2O2/c1-12-5-3-6-14-15(7-4-10-21-17(12)14)18-13-8-9-16(20)19(2)11-13/h3,5-6,8-9,11,15,18H,4,7,10H2,1-2H3
InChIKeyMVHCJHFJZDEJHY-UHFFFAOYSA-N
XLogP3.02
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one (CID 60932042) is 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one is Cc1cccc2c1OCCCC2Nc1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one?
The InChIKey is MVHCJHFJZDEJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-5-3-6-14-15(7-4-10-21-17(12)14)18-13-8-9-16(20)19(2)11-13/h3,5-6,8-9,11,15,18H,4,7,10H2,1-2H3.
What are the key properties of 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one?
1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]pyridin-2-one is sourced from PubChem (CID 60932042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).