4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

C14H20N4O2 — CID 84571130

IUPAC4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)Nc1cccc(C(=O)N2CCN(C=O)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-11(2)15-13-5-3-4-12(16-13)14(20)18-8-6-17(10-19)7-9-18/h3-5,10-11H,6-9H2,1-2H3,(H,15,16)
InChIKeyAWQAFIKPKUICCW-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.82
Rot. Bonds4

About 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 84571130) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID84571130
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)Nc1cccc(C(=O)N2CCN(C=O)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-11(2)15-13-5-3-4-12(16-13)14(20)18-8-6-17(10-19)7-9-18/h3-5,10-11H,6-9H2,1-2H3,(H,15,16)
InChIKeyAWQAFIKPKUICCW-UHFFFAOYSA-N
XLogP0.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.82
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

1-[4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 84570333
azocan-1-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498168
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
3,4-dihydro-1H-isoquinolin-2-yl-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 84570258
6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109094399
(3-methylpyrrolidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498253
(4-ethoxypiperidin-1-yl)-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 115498252
[3-(methoxymethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 106589203
methyl 2-[[6-(4-formylpiperazine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109096981
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
6-(4-acetylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109093636
4-[2-(2-propan-2-ylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302903

Frequently Asked Questions

What is the IUPAC name of 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 84571130) is 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is CC(C)Nc1cccc(C(=O)N2CCN(C=O)CC2)n1.
What is the InChIKey of 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is AWQAFIKPKUICCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11(2)15-13-5-3-4-12(16-13)14(20)18-8-6-17(10-19)7-9-18/h3-5,10-11H,6-9H2,1-2H3,(H,15,16).
What are the key properties of 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 276.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propan-2-ylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 84571130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).