1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

C12H15ClN4O2 — CID 77038922

IUPAC1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN4O2/c13-9-1-2-10(15-7-9)12(18)17-5-3-8(4-6-17)11(14)16-19/h1-2,7-8,19H,3-6H2,(H2,14,16)
InChIKeyYCEBLKHKBTULIV-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.33
Rot. Bonds2

About 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77038922) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77038922
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C12H15ClN4O2/c13-9-1-2-10(15-7-9)12(18)17-5-3-8(4-6-17)11(14)16-19/h1-2,7-8,19H,3-6H2,(H2,14,16)
InChIKeyYCEBLKHKBTULIV-UHFFFAOYSA-N
XLogP1.33
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-pyridinyl)methanone
CID 120818056
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77135123
1-(5-chloropyridine-2-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160880
N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
CID 113439455
[4-(3-aminopropoxy)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119663041
[3-(bromomethyl)pyrrolidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 80668297
N'-hydroxy-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboximidamide
CID 79754702
(5-chloro-2-pyridinyl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133132576
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
3-amino-1-(5-chloropyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107322971
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (CID 77038922) is 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(C(=O)c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is YCEBLKHKBTULIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-9-1-2-10(15-7-9)12(18)17-5-3-8(4-6-17)11(14)16-19/h1-2,7-8,19H,3-6H2,(H2,14,16).
What are the key properties of 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide has a molecular weight of 282.73 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77038922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).