N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide

C12H17N5O2 — CID 77011807

IUPACN'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(C(=O)c2ccccn2)CC1)=NO
InChIInChI=1S/C12H17N5O2/c13-11(15-19)9-16-5-7-17(8-6-16)12(18)10-3-1-2-4-14-10/h1-4,19H,5-9H2,(H2,13,15)
InChIKeyNOYGUIJNASZHNQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.41
Rot. Bonds3

About N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide

N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide (PubChem CID 77011807) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
PubChem CID77011807
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide
SMILESNC(CN1CCN(C(=O)c2ccccn2)CC1)=NO
InChIInChI=1S/C12H17N5O2/c13-11(15-19)9-16-5-7-17(8-6-16)12(18)10-3-1-2-4-14-10/h1-4,19H,5-9H2,(H2,13,15)
InChIKeyNOYGUIJNASZHNQ-UHFFFAOYSA-N
XLogP-0.41
TPSA95.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 108534823
N-butan-2-yl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 134049016
N-methyl-N-phenyl-2-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 47809870
[4-(2-chloroethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 63394596
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]ethanimidamide
CID 77012033
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 107016252
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
2-[4-(2,5-difluorobenzoyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77011940
2-[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-N'-hydroxyethanimidamide
CID 102802160
(1,1-dioxo-1,4-thiazinan-4-yl)-pyridin-2-ylmethanone
CID 110743458

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide (CID 77011807) is N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide is NC(CN1CCN(C(=O)c2ccccn2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide?
The InChIKey is NOYGUIJNASZHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-11(15-19)9-16-5-7-17(8-6-16)12(18)10-3-1-2-4-14-10/h1-4,19H,5-9H2,(H2,13,15).
What are the key properties of N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide has a molecular weight of 263.30 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77011807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).