2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde

C11H16N4O — CID 87202531

IUPAC2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)C(c2cccnc2N)C1
InChIInChI=1S/C11H16N4O/c1-14-5-6-15(8-16)10(7-14)9-3-2-4-13-11(9)12/h2-4,8,10H,5-7H2,1H3,(H2,12,13)
InChIKeyONKVBHFQSLEQFN-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.11
Rot. Bonds2

About 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde

2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde (PubChem CID 87202531) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde
PubChem CID87202531
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde
SMILESCN1CCN(C=O)C(c2cccnc2N)C1
InChIInChI=1S/C11H16N4O/c1-14-5-6-15(8-16)10(7-14)9-3-2-4-13-11(9)12/h2-4,8,10H,5-7H2,1H3,(H2,12,13)
InChIKeyONKVBHFQSLEQFN-UHFFFAOYSA-N
XLogP0.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde?
The IUPAC name of 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde (CID 87202531) is 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde is CN1CCN(C=O)C(c2cccnc2N)C1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde?
The InChIKey is ONKVBHFQSLEQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-14-5-6-15(8-16)10(7-14)9-3-2-4-13-11(9)12/h2-4,8,10H,5-7H2,1H3,(H2,12,13).
What are the key properties of 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde?
2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde has a molecular weight of 220.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde is sourced from PubChem (CID 87202531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).