N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide

C18H19N5O2 — CID 9323479

IUPACN-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H19N5O2/c1-19-17(24)14-9-7-13(8-10-14)11-22(2)12-23-18(25)15-5-3-4-6-16(15)20-21-23/h3-10H,11-12H2,1-2H3,(H,19,24)
InChIKeyXPPRBRBPRYAZSI-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.24
Rot. Bonds5

About N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide (PubChem CID 9323479) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide
PubChem CID9323479
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H19N5O2/c1-19-17(24)14-9-7-13(8-10-14)11-22(2)12-23-18(25)15-5-3-4-6-16(15)20-21-23/h3-10H,11-12H2,1-2H3,(H,19,24)
InChIKeyXPPRBRBPRYAZSI-UHFFFAOYSA-N
XLogP1.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,2,3-benzotriazin-4-one
CID 7911471
N-cyclopropyl-2-[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]acetamide
CID 9286183
N-[(2R)-butan-2-yl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 129359778
N-[(4-fluorophenyl)methyl]-4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]benzamide
CID 23770253
N-[3-[benzyl(methyl)amino]propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 51266872
N-methyl-4-[[methyl-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323541
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24516361
N-methyl-4-[[methyl-[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]amino]methyl]benzamide
CID 9323312
4-chloro-N-methyl-3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
CID 87004588
N-methyl-4-[[methyl-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]amino]methyl]benzamide
CID 9323282
tert-butyl N-[3-[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]propyl]carbamate
CID 56794793
N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
CID 36790361

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide (CID 9323479) is N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)Cn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide?
The InChIKey is XPPRBRBPRYAZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-19-17(24)14-9-7-13(8-10-14)11-22(2)12-23-18(25)15-5-3-4-6-16(15)20-21-23/h3-10H,11-12H2,1-2H3,(H,19,24).
What are the key properties of N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 9323479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).