4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde

C21H26N4O2 — CID 109155012

IUPAC4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C21H26N4O2/c1-17(2)25(15-18-6-4-3-5-7-18)20-9-8-19(14-22-20)21(27)24-12-10-23(16-26)11-13-24/h3-9,14,16-17H,10-13,15H2,1-2H3
InChIKeyMTBIUHCKQTZCEG-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.41
Rot. Bonds6

About 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109155012) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109155012
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)N(Cc1ccccc1)c1ccc(C(=O)N2CCN(C=O)CC2)cn1
InChIInChI=1S/C21H26N4O2/c1-17(2)25(15-18-6-4-3-5-7-18)20-9-8-19(14-22-20)21(27)24-12-10-23(16-26)11-13-24/h3-9,14,16-17H,10-13,15H2,1-2H3
InChIKeyMTBIUHCKQTZCEG-UHFFFAOYSA-N
XLogP2.41
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230766
[2-[benzyl(propan-2-yl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249970
1-[4-[6-[benzyl(ethyl)amino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155193
4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
[2-[benzyl(propan-2-yl)amino]-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109166421
[6-(dimethylamino)-3-pyridinyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503795
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161100
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[6-[ethyl(propan-2-yl)amino]-3-pyridinyl]methanone
CID 120749380

Frequently Asked Questions

What is the IUPAC name of 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde (CID 109155012) is 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde is CC(C)N(Cc1ccccc1)c1ccc(C(=O)N2CCN(C=O)CC2)cn1.
What is the InChIKey of 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is MTBIUHCKQTZCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(2)25(15-18-6-4-3-5-7-18)20-9-8-19(14-22-20)21(27)24-12-10-23(16-26)11-13-24/h3-9,14,16-17H,10-13,15H2,1-2H3.
What are the key properties of 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 366.47 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[benzyl(propan-2-yl)amino]pyridine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109155012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).