2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde

C19H21N3O2 — CID 142128858

IUPAC2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde
SMILESCC(=O)c1c(C2CCCNC2)cc(-c2ccccc2C=O)nc1N
InChIInChI=1S/C19H21N3O2/c1-12(24)18-16(13-6-4-8-21-10-13)9-17(22-19(18)20)15-7-3-2-5-14(15)11-23/h2-3,5,7,9,11,13,21H,4,6,8,10H2,1H3,(H2,20,22)
InChIKeyRTSVNXYDPYEHTD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.81
Rot. Bonds4

About 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde

2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde (PubChem CID 142128858) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde
PubChem CID142128858
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde
SMILESCC(=O)c1c(C2CCCNC2)cc(-c2ccccc2C=O)nc1N
InChIInChI=1S/C19H21N3O2/c1-12(24)18-16(13-6-4-8-21-10-13)9-17(22-19(18)20)15-7-3-2-5-14(15)11-23/h2-3,5,7,9,11,13,21H,4,6,8,10H2,1H3,(H2,20,22)
InChIKeyRTSVNXYDPYEHTD-UHFFFAOYSA-N
XLogP2.81
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
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-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde?
The IUPAC name of 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde (CID 142128858) is 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde.
What is the SMILES notation for 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde?
The canonical SMILES for 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde is CC(=O)c1c(C2CCCNC2)cc(-c2ccccc2C=O)nc1N.
What is the InChIKey of 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde?
The InChIKey is RTSVNXYDPYEHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(24)18-16(13-6-4-8-21-10-13)9-17(22-19(18)20)15-7-3-2-5-14(15)11-23/h2-3,5,7,9,11,13,21H,4,6,8,10H2,1H3,(H2,20,22).
What are the key properties of 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde?
2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde has a molecular weight of 323.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-6-amino-4-piperidin-3-yl-2-pyridinyl)benzaldehyde is sourced from PubChem (CID 142128858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).