3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide

C12H18ClN5O2 — CID 136739315

IUPAC3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C12H18ClN5O2/c13-10-9(11(14)16-20)1-2-15-12(10)18-5-3-17(4-6-18)7-8-19/h1-2,19-20H,3-8H2,(H2,14,16)
InChIKeyGFOLVXVFXHKGIV-UHFFFAOYSA-N
MW299.76 g/mol
LogP-0.06
Rot. Bonds4

About 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide (PubChem CID 136739315) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
PubChem CID136739315
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C12H18ClN5O2/c13-10-9(11(14)16-20)1-2-15-12(10)18-5-3-17(4-6-18)7-8-19/h1-2,19-20H,3-8H2,(H2,14,16)
InChIKeyGFOLVXVFXHKGIV-UHFFFAOYSA-N
XLogP-0.06
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboximidamide
CID 107223209
3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136739363
3-chloro-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-4-carboximidamide
CID 107223271
3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
CID 137006825
3-chloro-2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136905770
3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136739559
N'-hydroxy-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-2-carboximidamide
CID 136811783
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76904193
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
CID 61177324
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 137006828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide (CID 136739315) is 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide is N/C(=N/O)c1ccnc(N2CCN(CCO)CC2)c1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide?
The InChIKey is GFOLVXVFXHKGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c13-10-9(11(14)16-20)1-2-15-12(10)18-5-3-17(4-6-18)7-8-19/h1-2,19-20H,3-8H2,(H2,14,16).
What are the key properties of 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide has a molecular weight of 299.76 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 136739315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).