6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide

C11H16N4O2 — CID 135455113

IUPAC6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C11H16N4O2/c1-12-5-2-6-13-11(16)9-3-4-10(8-15-17)14-7-9/h3-4,7-8,12,17H,2,5-6H2,1H3,(H,13,16)/b15-8+
InChIKeyKUAWQHAMHBTUEO-OVCLIPMQSA-N
MW236.28 g/mol
LogP0.23
Rot. Bonds6

About 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide

6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide (PubChem CID 135455113) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide
PubChem CID135455113
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(/C=N/O)nc1
InChIInChI=1S/C11H16N4O2/c1-12-5-2-6-13-11(16)9-3-4-10(8-15-17)14-7-9/h3-4,7-8,12,17H,2,5-6H2,1H3,(H,13,16)/b15-8+
InChIKeyKUAWQHAMHBTUEO-OVCLIPMQSA-N
XLogP0.23
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(methylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide (CID 135455113) is 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide is CNCCCNC(=O)c1ccc(/C=N/O)nc1.
What is the InChIKey of 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The InChIKey is KUAWQHAMHBTUEO-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-12-5-2-6-13-11(16)9-3-4-10(8-15-17)14-7-9/h3-4,7-8,12,17H,2,5-6H2,1H3,(H,13,16)/b15-8+.
What are the key properties of 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide has a molecular weight of 236.28 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-hydroxyiminomethyl]-N-[3-(methylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 135455113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).