4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide

C12H16N4O2 — CID 43517734

IUPAC4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCC(=NO)CC2)ccn1
InChIInChI=1S/C12H16N4O2/c1-13-12(17)11-8-10(2-5-14-11)16-6-3-9(15-18)4-7-16/h2,5,8,18H,3-4,6-7H2,1H3,(H,13,17)
InChIKeyVEAUBXAKGIMQAK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.87
Rot. Bonds2

About 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide

4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide (PubChem CID 43517734) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide
PubChem CID43517734
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N2CCC(=NO)CC2)ccn1
InChIInChI=1S/C12H16N4O2/c1-13-12(17)11-8-10(2-5-14-11)16-6-3-9(15-18)4-7-16/h2,5,8,18H,3-4,6-7H2,1H3,(H,13,17)
InChIKeyVEAUBXAKGIMQAK-UHFFFAOYSA-N
XLogP0.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(3-aminopyrrolidin-1-yl)-N-methylpyridine-2-carboxamide
CID 62067734
1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 43517695
3-methyl-1-[2-(methylcarbamoyl)-4-pyridinyl]pyrrolidine-2-carboxylic acid
CID 102776437
methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
CID 115538541
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
2-N,6-N-dimethyl-4-piperidin-1-ylpyridine-2,6-dicarboxamide
CID 13235645
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]pyridine-2-carboxamide
CID 63853891
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
N-methyl-4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136568235

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide (CID 43517734) is 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(N2CCC(=NO)CC2)ccn1.
What is the InChIKey of 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is VEAUBXAKGIMQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-13-12(17)11-8-10(2-5-14-11)16-6-3-9(15-18)4-7-16/h2,5,8,18H,3-4,6-7H2,1H3,(H,13,17).
What are the key properties of 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide?
4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyiminopiperidin-1-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43517734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).