N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide

C19H25N5O — CID 58006589

IUPACN'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide
SMILESCC(C)N1CCN(c2ccc(-c3ccc(/C(N)=N/O)cc3)cn2)CC1
InChIInChI=1S/C19H25N5O/c1-14(2)23-9-11-24(12-10-23)18-8-7-17(13-21-18)15-3-5-16(6-4-15)19(20)22-25/h3-8,13-14,25H,9-12H2,1-2H3,(H2,20,22)
InChIKeyCOSXAZMQWHWTDZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.37
Rot. Bonds4

About N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide

N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide (PubChem CID 58006589) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide
PubChem CID58006589
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide
SMILESCC(C)N1CCN(c2ccc(-c3ccc(/C(N)=N/O)cc3)cn2)CC1
InChIInChI=1S/C19H25N5O/c1-14(2)23-9-11-24(12-10-23)18-8-7-17(13-21-18)15-3-5-16(6-4-15)19(20)22-25/h3-8,13-14,25H,9-12H2,1-2H3,(H2,20,22)
InChIKeyCOSXAZMQWHWTDZ-UHFFFAOYSA-N
XLogP2.37
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.37
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

N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
CID 43585296
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
CID 87286041
N'-hydroxy-6-pyrrolidin-1-ylpyridine-3-carboximidamide
CID 74313861
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
N,N-dimethyl-3-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 58006679
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
2,2-dimethyl-N-[[4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]phenyl]methyl]propanamide
CID 58006606
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
CID 59414393
N'-hydroxy-4-[4-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]phenyl]benzenecarboximidamide
CID 135407879
1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
CID 177124106

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide (CID 58006589) is N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide is CC(C)N1CCN(c2ccc(-c3ccc(/C(N)=N/O)cc3)cn2)CC1.
What is the InChIKey of N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide?
The InChIKey is COSXAZMQWHWTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(2)23-9-11-24(12-10-23)18-8-7-17(13-21-18)15-3-5-16(6-4-15)19(20)22-25/h3-8,13-14,25H,9-12H2,1-2H3,(H2,20,22).
What are the key properties of N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide?
N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide has a molecular weight of 339.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzenecarboximidamide is sourced from PubChem (CID 58006589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).