7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide

C19H21N5O3 — CID 123822552

IUPAC7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
SMILESO=C(NNc1cccnc1)C1CCC2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C19H21N5O3/c25-18(22-21-15-7-4-10-20-11-15)17-9-8-16-12-23(17)19(26)24(16)27-13-14-5-2-1-3-6-14/h1-7,10-11,16-17,21H,8-9,12-13H2,(H,22,25)
InChIKeyAODVRRWSWIXYNB-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.93
Rot. Bonds6

About 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide

7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide (PubChem CID 123822552) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide.

Molecular Properties

Compound Name7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
PubChem CID123822552
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
SMILESO=C(NNc1cccnc1)C1CCC2CN1C(=O)N2OCc1ccccc1
InChIInChI=1S/C19H21N5O3/c25-18(22-21-15-7-4-10-20-11-15)17-9-8-16-12-23(17)19(26)24(16)27-13-14-5-2-1-3-6-14/h1-7,10-11,16-17,21H,8-9,12-13H2,(H,22,25)
InChIKeyAODVRRWSWIXYNB-UHFFFAOYSA-N
XLogP1.93
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclopentanecarbonyl)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 123709095
(2R,5R)-N'-methylsulfonyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 86694033
(2S)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid
CID 89169654
(2S,5R)-N'-butanoyl-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 135242970
(2S,5R)-7-oxo-6-phenylmethoxy-N-propyl-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 166570955
(2S,5R)-N'-[2-(hydroxymethyl)imidazole-1-carbonyl]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 135344178
7-oxo-6-phenylmethoxy-N'-(3,3,3-trifluoropropanoyl)-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide
CID 123160682
[(2S,5R)-2-(anilinocarbamoyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 78427804
(2S)-7-oxo-6-phenylmethoxy-N-propoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 144643530
(2S,5R)-7-oxo-6-phenylmethoxy-N-(2-pyridin-2-ylethoxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 86693990
tert-butyl-[2-oxo-2-[2-[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]hydrazinyl]ethyl]carbamic acid
CID 118073947
N-(4-methylcycloheptyl)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 123972828

Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
The IUPAC name of 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide (CID 123822552) is 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide.
What is the SMILES notation for 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
The canonical SMILES for 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide is O=C(NNc1cccnc1)C1CCC2CN1C(=O)N2OCc1ccccc1.
What is the InChIKey of 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
The InChIKey is AODVRRWSWIXYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-18(22-21-15-7-4-10-20-11-15)17-9-8-16-12-23(17)19(26)24(16)27-13-14-5-2-1-3-6-14/h1-7,10-11,16-17,21H,8-9,12-13H2,(H,22,25).
What are the key properties of 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide?
7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide has a molecular weight of 367.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-phenylmethoxy-N'-pyridin-3-yl-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide is sourced from PubChem (CID 123822552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).