N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide

C14H21N5O2 — CID 77012824

IUPACN'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H21N5O2/c1-14(2,13(15)17-21)19-8-6-18(7-9-19)12(20)11-4-3-5-16-10-11/h3-5,10,21H,6-9H2,1-2H3,(H2,15,17)
InChIKeyGXALUXRSEKFERN-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.36
Rot. Bonds3

About N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide (PubChem CID 77012824) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide
PubChem CID77012824
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC NameN'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(C(N)=NO)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H21N5O2/c1-14(2,13(15)17-21)19-8-6-18(7-9-19)12(20)11-4-3-5-16-10-11/h3-5,10,21H,6-9H2,1-2H3,(H2,15,17)
InChIKeyGXALUXRSEKFERN-UHFFFAOYSA-N
XLogP0.36
TPSA95.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.36
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-2-methyl-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propanimidamide
CID 77012740
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
CID 18382168
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
ethane;pyridin-3-yl-[4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperazin-1-yl]methanone
CID 145145747

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide (CID 77012824) is N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide is CC(C)(C(N)=NO)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide?
The InChIKey is GXALUXRSEKFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-14(2,13(15)17-21)19-8-6-18(7-9-19)12(20)11-4-3-5-16-10-11/h3-5,10,21H,6-9H2,1-2H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide has a molecular weight of 291.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 77012824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).