2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one

C16H17N3O2 — CID 66716709

IUPAC2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CN(C)c3ccccn3)cc2NC1=O
InChIInChI=1S/C16H17N3O2/c1-11-16(20)18-13-9-12(6-7-14(13)21-11)10-19(2)15-5-3-4-8-17-15/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyBIBYLUBHGDJKPJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one

2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 66716709) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
PubChem CID66716709
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(CN(C)c3ccccn3)cc2NC1=O
InChIInChI=1S/C16H17N3O2/c1-11-16(20)18-13-9-12(6-7-14(13)21-11)10-19(2)15-5-3-4-8-17-15/h3-9,11H,10H2,1-2H3,(H,18,20)
InChIKeyBIBYLUBHGDJKPJ-UHFFFAOYSA-N
XLogP2.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[aminomethyl(methyl)amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115225912
N-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl bromide
CID 115193782
6-[[chloromethyl(methyl)amino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115263215
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyridine-2-carboxamide
CID 110794357
methyl-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid
CID 115171007
6-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 66716755
6-(2-chloroethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82255541
6-[[[3-[(benzylamino)methyl]phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 22597518
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetonitrile
CID 82469609
2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
6-(2-aminobutyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82255173

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one (CID 66716709) is 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one is CC1Oc2ccc(CN(C)c3ccccn3)cc2NC1=O.
What is the InChIKey of 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is BIBYLUBHGDJKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-16(20)18-13-9-12(6-7-14(13)21-11)10-19(2)15-5-3-4-8-17-15/h3-9,11H,10H2,1-2H3,(H,18,20).
What are the key properties of 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one?
2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 283.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[methyl(pyridin-2-yl)amino]methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66716709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).