4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde

C19H21ClN4O2 — CID 109168856

IUPAC4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(NCCc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c20-17-3-1-2-15(12-17)4-6-21-18-13-16(5-7-22-18)19(26)24-10-8-23(14-25)9-11-24/h1-3,5,7,12-14H,4,6,8-11H2,(H,21,22)
InChIKeyQAMJANBLNPVZSB-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.30
Rot. Bonds6

About 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109168856) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109168856
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(NCCc3cccc(Cl)c3)c2)CC1
InChIInChI=1S/C19H21ClN4O2/c20-17-3-1-2-15(12-17)4-6-21-18-13-16(5-7-22-18)19(26)24-10-8-23(14-25)9-11-24/h1-3,5,7,12-14H,4,6,8-11H2,(H,21,22)
InChIKeyQAMJANBLNPVZSB-UHFFFAOYSA-N
XLogP2.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.30
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-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169047
4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168852
4-[4-[2-(3-chlorophenyl)ethylamino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888740
N-benzyl-2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carboxamide
CID 109169452
azepan-1-yl-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109161934
[2-[2-(4-chlorophenyl)ethylamino]-4-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109168648
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
1-[4-[2-(3-phenylpropylamino)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169044
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341697
2-[2-(3-chlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172481
2-[2-(3-chlorophenyl)ethylamino]-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109175993
4-[2-(3-chloroanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254388

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde (CID 109168856) is 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccnc(NCCc3cccc(Cl)c3)c2)CC1.
What is the InChIKey of 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is QAMJANBLNPVZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-17-3-1-2-15(12-17)4-6-21-18-13-16(5-7-22-18)19(26)24-10-8-23(14-25)9-11-24/h1-3,5,7,12-14H,4,6,8-11H2,(H,21,22).
What are the key properties of 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 372.86 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-chlorophenyl)ethylamino]pyridine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109168856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).