6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide

C13H19N5O2 — CID 106909271

IUPAC6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESCCC1C(=O)NCCN1Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C13H19N5O2/c1-2-11-13(20)15-6-7-18(11)8-9-4-3-5-10(16-9)12(19)17-14/h3-5,11H,2,6-8,14H2,1H3,(H,15,20)(H,17,19)
InChIKeyMMQDMNHKSPDYFH-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.60
Rot. Bonds4

About 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide

6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide (PubChem CID 106909271) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide
PubChem CID106909271
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide
SMILESCCC1C(=O)NCCN1Cc1cccc(C(=O)NN)n1
InChIInChI=1S/C13H19N5O2/c1-2-11-13(20)15-6-7-18(11)8-9-4-3-5-10(16-9)12(19)17-14/h3-5,11H,2,6-8,14H2,1H3,(H,15,20)(H,17,19)
InChIKeyMMQDMNHKSPDYFH-UHFFFAOYSA-N
XLogP-0.60
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63601224
6-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904217
(3S)-4-[(8-chloroquinolin-2-yl)methyl]-3-ethylpiperazin-2-one
CID 99935353
(3R)-3-ethyl-4-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperazin-2-one
CID 99929898
3-ethyl-4-(6-hydrazinylpyridine-2-carbonyl)piperazin-2-one
CID 63603750
(3S)-4-[(6-chloropyridazin-3-yl)methyl]-3-ethylpiperazin-2-one
CID 129395126
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
4-[[2-(aminomethyl)-3-pyridinyl]methyl]-3-ethylpiperazin-2-one
CID 63602695
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
methyl 4-[[(2S)-2-ethyl-3-oxopiperazin-1-yl]methyl]benzoate
CID 124545764

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide (CID 106909271) is 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide is CCC1C(=O)NCCN1Cc1cccc(C(=O)NN)n1.
What is the InChIKey of 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
The InChIKey is MMQDMNHKSPDYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-2-11-13(20)15-6-7-18(11)8-9-4-3-5-10(16-9)12(19)17-14/h3-5,11H,2,6-8,14H2,1H3,(H,15,20)(H,17,19).
What are the key properties of 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide?
6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide has a molecular weight of 277.33 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-3-oxopiperazin-1-yl)methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106909271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).