6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C14H20N4O2 — CID 135495453

IUPAC6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc(/C=N/O)nc1
InChIInChI=1S/C14H20N4O2/c19-14(12-4-5-13(11-17-20)16-10-12)15-6-9-18-7-2-1-3-8-18/h4-5,10-11,20H,1-3,6-9H2,(H,15,19)/b17-11+
InChIKeyXTYWSRVFYKUFIP-GZTJUZNOSA-N
MW276.34 g/mol
LogP1.11
Rot. Bonds5

About 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 135495453) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID135495453
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc(/C=N/O)nc1
InChIInChI=1S/C14H20N4O2/c19-14(12-4-5-13(11-17-20)16-10-12)15-6-9-18-7-2-1-3-8-18/h4-5,10-11,20H,1-3,6-9H2,(H,15,19)/b17-11+
InChIKeyXTYWSRVFYKUFIP-GZTJUZNOSA-N
XLogP1.11
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.11
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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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 135495453) is 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCCCC1)c1ccc(/C=N/O)nc1.
What is the InChIKey of 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is XTYWSRVFYKUFIP-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-14(12-4-5-13(11-17-20)16-10-12)15-6-9-18-7-2-1-3-8-18/h4-5,10-11,20H,1-3,6-9H2,(H,15,19)/b17-11+.
What are the key properties of 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hydroxyiminomethyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 135495453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).