1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

C12H15ClN4O2 — CID 77135123

IUPAC1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)c2ccncc2Cl)CC1
InChIInChI=1S/C12H15ClN4O2/c13-10-7-15-4-1-9(10)12(18)17-5-2-8(3-6-17)11(14)16-19/h1,4,7-8,19H,2-3,5-6H2,(H2,14,16)
InChIKeyYYFRSWPKJKFSCC-UHFFFAOYSA-N
MW282.73 g/mol
LogP1.33
Rot. Bonds2

About 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide

1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (PubChem CID 77135123) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
PubChem CID77135123
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
SMILESNC(=NO)C1CCN(C(=O)c2ccncc2Cl)CC1
InChIInChI=1S/C12H15ClN4O2/c13-10-7-15-4-1-9(10)12(18)17-5-2-8(3-6-17)11(14)16-19/h1,4,7-8,19H,2-3,5-6H2,(H2,14,16)
InChIKeyYYFRSWPKJKFSCC-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-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
N'-hydroxy-1-(pyridazine-4-carbonyl)piperidine-4-carboximidamide
CID 113439455
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
1-(5-chloropyridine-2-carbonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038922
[(3R)-3-aminopiperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 102978397
1-[1-(3-chloropyridine-4-carbonyl)piperidin-4-yl]piperidine-3-carboxylic acid
CID 118793030
1-(2-bromo-4-chlorobenzoyl)-N'-hydroxypiperidine-4-carboximidamide
CID 107992513
(3R)-1-(3-chloropyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81118358
(4-chloro-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81226182
N'-hydroxy-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidine-4-carboximidamide
CID 77042423
(3S)-1-(3-chloropyridine-4-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 129485786
[3-(aminomethyl)piperidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484755

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The IUPAC name of 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide (CID 77135123) is 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide.
What is the SMILES notation for 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The canonical SMILES for 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is NC(=NO)C1CCN(C(=O)c2ccncc2Cl)CC1.
What is the InChIKey of 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
The InChIKey is YYFRSWPKJKFSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-10-7-15-4-1-9(10)12(18)17-5-2-8(3-6-17)11(14)16-19/h1,4,7-8,19H,2-3,5-6H2,(H2,14,16).
What are the key properties of 1-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide?
1-(3-chloropyridine-4-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-(3-chloropyridine-4-carbonyl)-N'-hydroxypiperidine-4-carboximidamide is sourced from PubChem (CID 77135123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).