2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde

C14H20N4O2 — CID 78427354

IUPAC2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde
SMILESCN1CCN(C(=O)CNCc2cc(C=O)ccn2)CC1
InChIInChI=1S/C14H20N4O2/c1-17-4-6-18(7-5-17)14(20)10-15-9-13-8-12(11-19)2-3-16-13/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyYCWVCIHMJRHUSH-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.24
Rot. Bonds5

About 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde

2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde (PubChem CID 78427354) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde
PubChem CID78427354
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde
SMILESCN1CCN(C(=O)CNCc2cc(C=O)ccn2)CC1
InChIInChI=1S/C14H20N4O2/c1-17-4-6-18(7-5-17)14(20)10-15-9-13-8-12(11-19)2-3-16-13/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyYCWVCIHMJRHUSH-UHFFFAOYSA-N
XLogP-0.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde?
The IUPAC name of 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde (CID 78427354) is 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde.
What is the SMILES notation for 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde?
The canonical SMILES for 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde is CN1CCN(C(=O)CNCc2cc(C=O)ccn2)CC1.
What is the InChIKey of 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde?
The InChIKey is YCWVCIHMJRHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-4-6-18(7-5-17)14(20)10-15-9-13-8-12(11-19)2-3-16-13/h2-3,8,11,15H,4-7,9-10H2,1H3.
What are the key properties of 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde?
2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde has a molecular weight of 276.34 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]methyl]pyridine-4-carbaldehyde is sourced from PubChem (CID 78427354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).