4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde

C19H23N5O2 — CID 109208824

IUPAC4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C19H23N5O2/c1-22(2)17-5-3-15(4-6-17)21-16-7-8-20-18(13-16)19(26)24-11-9-23(14-25)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,20,21)
InChIKeyHSNNIUDLVSYJLI-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.81
Rot. Bonds5

About 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109208824) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109208824
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1
InChIInChI=1S/C19H23N5O2/c1-22(2)17-5-3-15(4-6-17)21-16-7-8-20-18(13-16)19(26)24-11-9-23(14-25)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,20,21)
InChIKeyHSNNIUDLVSYJLI-UHFFFAOYSA-N
XLogP1.81
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206522
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
ethyl 4-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208836
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208785
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208801
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
1-[4-[4-[4-(trifluoromethyl)anilino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209109

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109208824) is 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde is CN(C)c1ccc(Nc2ccnc(C(=O)N3CCN(C=O)CC3)c2)cc1.
What is the InChIKey of 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is HSNNIUDLVSYJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-22(2)17-5-3-15(4-6-17)21-16-7-8-20-18(13-16)19(26)24-11-9-23(14-25)10-12-24/h3-8,13-14H,9-12H2,1-2H3,(H,20,21).
What are the key properties of 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 353.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109208824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).