6-oxo-N-phenyldiazinane-3-carboxamide

C11H13N3O2 — CID 78211041

IUPAC6-oxo-N-phenyldiazinane-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2)NN1
InChIInChI=1S/C11H13N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)
InChIKeyUVNNUUMZFUYZFW-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.41
Rot. Bonds2

About 6-oxo-N-phenyldiazinane-3-carboxamide

6-oxo-N-phenyldiazinane-3-carboxamide (PubChem CID 78211041) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-oxo-N-phenyldiazinane-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-phenyldiazinane-3-carboxamide
PubChem CID78211041
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-oxo-N-phenyldiazinane-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2)NN1
InChIInChI=1S/C11H13N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15)
InChIKeyUVNNUUMZFUYZFW-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-(2-phenylphenyl)diazinane-3-carboxamide
CID 78371672
N-(3-acetylphenyl)-6-oxodiazinane-3-carboxamide
CID 78507830
N-(4-morpholin-4-ylphenyl)-6-oxodiazinane-3-carboxamide
CID 73251784
N-(1,3-benzodioxol-5-yl)-6-oxodiazinane-3-carboxamide
CID 78270217
(3S)-5-oxo-N-phenyl-1,4-thiazepane-3-carboxamide
CID 100816227
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-6-oxodiazinane-3-carboxamide
CID 75118982
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-[4-(2-methoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 42889996

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-phenyldiazinane-3-carboxamide?
The IUPAC name of 6-oxo-N-phenyldiazinane-3-carboxamide (CID 78211041) is 6-oxo-N-phenyldiazinane-3-carboxamide.
What is the SMILES notation for 6-oxo-N-phenyldiazinane-3-carboxamide?
The canonical SMILES for 6-oxo-N-phenyldiazinane-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2)NN1.
What is the InChIKey of 6-oxo-N-phenyldiazinane-3-carboxamide?
The InChIKey is UVNNUUMZFUYZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-10-7-6-9(13-14-10)11(16)12-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-phenyldiazinane-3-carboxamide?
6-oxo-N-phenyldiazinane-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-phenyldiazinane-3-carboxamide is sourced from PubChem (CID 78211041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).