4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

C17H16Cl2N4O2 — CID 109187042

IUPAC4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(Nc3ccc(Cl)c(Cl)c3)cn2)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-3-1-12(9-15(14)19)21-13-2-4-16(20-10-13)17(25)23-7-5-22(11-24)6-8-23/h1-4,9-11,21H,5-8H2
InChIKeySUJRRSLKMBNYAJ-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.05
Rot. Bonds4

About 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109187042) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109187042
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(Nc3ccc(Cl)c(Cl)c3)cn2)CC1
InChIInChI=1S/C17H16Cl2N4O2/c18-14-3-1-12(9-15(14)19)21-13-2-4-16(20-10-13)17(25)23-7-5-22(11-24)6-8-23/h1-4,9-11,21H,5-8H2
InChIKeySUJRRSLKMBNYAJ-UHFFFAOYSA-N
XLogP3.05
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.05
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

[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186977
4-[5-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186970
4-[5-(5-chloro-2-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186998
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
4-[5-(3-chloro-4-fluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278818
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
4-[5-(2-propan-2-ylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186985
[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186413
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
4-[5-(3-chloro-4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230809
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109187042) is 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(Nc3ccc(Cl)c(Cl)c3)cn2)CC1.
What is the InChIKey of 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is SUJRRSLKMBNYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-14-3-1-12(9-15(14)19)21-13-2-4-16(20-10-13)17(25)23-7-5-22(11-24)6-8-23/h1-4,9-11,21H,5-8H2.
What are the key properties of 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 379.25 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109187042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).