2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde

C14H20N4O — CID 166648312

IUPAC2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde
SMILES[H]/N=C/c1ccc(N2CCC(C)CC2)nc1NCC=O
InChIInChI=1S/C14H20N4O/c1-11-4-7-18(8-5-11)13-3-2-12(10-15)14(17-13)16-6-9-19/h2-3,9-11,15H,4-8H2,1H3,(H,16,17)/b15-10+
InChIKeyWRHNHDBGBJSNQK-XNTDXEJSSA-N
MW260.34 g/mol
LogP1.93
Rot. Bonds5

About 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde

2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde (PubChem CID 166648312) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde
PubChem CID166648312
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde
SMILES[H]/N=C/c1ccc(N2CCC(C)CC2)nc1NCC=O
InChIInChI=1S/C14H20N4O/c1-11-4-7-18(8-5-11)13-3-2-12(10-15)14(17-13)16-6-9-19/h2-3,9-11,15H,4-8H2,1H3,(H,16,17)/b15-10+
InChIKeyWRHNHDBGBJSNQK-XNTDXEJSSA-N
XLogP1.93
TPSA69.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde?
The IUPAC name of 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde (CID 166648312) is 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde.
What is the SMILES notation for 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde?
The canonical SMILES for 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde is [H]/N=C/c1ccc(N2CCC(C)CC2)nc1NCC=O.
What is the InChIKey of 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde?
The InChIKey is WRHNHDBGBJSNQK-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-4-7-18(8-5-11)13-3-2-12(10-15)14(17-13)16-6-9-19/h2-3,9-11,15H,4-8H2,1H3,(H,16,17)/b15-10+.
What are the key properties of 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde?
2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde has a molecular weight of 260.34 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methanimidoyl-6-(4-methylpiperidin-1-yl)-2-pyridinyl]amino]acetaldehyde is sourced from PubChem (CID 166648312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).