6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide

C13H21N5O2 — CID 106908998

IUPAC6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C13H21N5O2/c14-16-13(20)12-3-1-2-11(15-12)10-18-6-4-17(5-7-18)8-9-19/h1-3,19H,4-10,14H2,(H,16,20)
InChIKeyXRDGLKRNLXVVKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP-1.21
Rot. Bonds5

About 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide

6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide (PubChem CID 106908998) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
PubChem CID106908998
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide
SMILESNNC(=O)c1cccc(CN2CCN(CCO)CC2)n1
InChIInChI=1S/C13H21N5O2/c14-16-13(20)12-3-1-2-11(15-12)10-18-6-4-17(5-7-18)8-9-19/h1-3,19H,4-10,14H2,(H,16,20)
InChIKeyXRDGLKRNLXVVKO-UHFFFAOYSA-N
XLogP-1.21
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909004
6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909093
6-[(3-hydroxypyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909097
6-[(3-aminopyrrolidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909083
N-[1-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 106909367
2-[4-[(6-hydrazinyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]ethanol
CID 107226409
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
6-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]pyridine-2-carbohydrazide
CID 106909365
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 107395824
4-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-1,3-thiazole-2-carbohydrazide
CID 107226638

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide?
The IUPAC name of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide (CID 106908998) is 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide.
What is the SMILES notation for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide?
The canonical SMILES for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide is NNC(=O)c1cccc(CN2CCN(CCO)CC2)n1.
What is the InChIKey of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide?
The InChIKey is XRDGLKRNLXVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-16-13(20)12-3-1-2-11(15-12)10-18-6-4-17(5-7-18)8-9-19/h1-3,19H,4-10,14H2,(H,16,20).
What are the key properties of 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide?
6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide has a molecular weight of 279.34 g/mol, XLogP of -1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 106908998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).