4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde

C11H14N4O2 — CID 110850208

IUPAC4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
SMILESNc1cnccc1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H14N4O2/c12-10-7-13-2-1-9(10)11(17)15-5-3-14(8-16)4-6-15/h1-2,7-8H,3-6,12H2
InChIKeyVSTNXDONLOQVIS-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.42
Rot. Bonds2

About 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde

4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110850208) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
PubChem CID110850208
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde
SMILESNc1cnccc1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H14N4O2/c12-10-7-13-2-1-9(10)11(17)15-5-3-14(8-16)4-6-15/h1-2,7-8H,3-6,12H2
InChIKeyVSTNXDONLOQVIS-UHFFFAOYSA-N
XLogP-0.42
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 105070498
(3-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 105069851
(3-amino-4-pyridinyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 105070123
(3-amino-4-pyridinyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 105070126
(3-amino-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745609
(3-amino-4-pyridinyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 105071136
4-(6-oxo-1H-pyrimidine-5-carbonyl)piperazine-1-carbaldehyde
CID 110850252
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
azetidin-1-yl-(3-iodo-4-pyridinyl)methanone
CID 130650791
(4-amino-3-pyridinyl)-(4-propylpiperazin-1-yl)methanone
CID 81236290
(4-amino-3-pyridinyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 81239759
4-(5-aminofuran-2-carbonyl)piperazine-1-carbaldehyde
CID 82344222

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde (CID 110850208) is 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde is Nc1cnccc1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is VSTNXDONLOQVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-10-7-13-2-1-9(10)11(17)15-5-3-14(8-16)4-6-15/h1-2,7-8H,3-6,12H2.
What are the key properties of 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde?
4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 234.26 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyridine-4-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110850208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).