3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide

C13H18ClN5O — CID 136739363

IUPAC3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCN(C3CC3)CC2)c1Cl
InChIInChI=1S/C13H18ClN5O/c14-11-10(12(15)17-20)3-4-16-13(11)19-7-5-18(6-8-19)9-1-2-9/h3-4,9,20H,1-2,5-8H2,(H2,15,17)
InChIKeyPGFVONBPWYFBLP-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.11
Rot. Bonds3

About 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739363) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739363
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(N2CCN(C3CC3)CC2)c1Cl
InChIInChI=1S/C13H18ClN5O/c14-11-10(12(15)17-20)3-4-16-13(11)19-7-5-18(6-8-19)9-1-2-9/h3-4,9,20H,1-2,5-8H2,(H2,15,17)
InChIKeyPGFVONBPWYFBLP-UHFFFAOYSA-N
XLogP1.11
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.11
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

3-chloro-N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]pyridine-4-carboximidamide
CID 136739315
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 137006828
3-chloro-2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N'-hydroxypyridine-4-carboximidamide
CID 136905770
3-chloro-N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-4-carboximidamide
CID 137006825
3-chloro-N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-4-carboximidamide
CID 136739516
3-chloro-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136739447
2-(4-cyclopentylpiperazin-1-yl)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906689
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-4-carboxylic acid
CID 107062809
3-(4-cyclopropylpiperazin-1-yl)pyridazine-4-carbothioamide
CID 80512243
3-chloro-N'-hydroxy-2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136739559
4-bromo-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114903960
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide (CID 136739363) is 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccnc(N2CCN(C3CC3)CC2)c1Cl.
What is the InChIKey of 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is PGFVONBPWYFBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c14-11-10(12(15)17-20)3-4-16-13(11)19-7-5-18(6-8-19)9-1-2-9/h3-4,9,20H,1-2,5-8H2,(H2,15,17).
What are the key properties of 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 295.77 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-cyclopropylpiperazin-1-yl)-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).