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

C19H22N4O2 — CID 109186977

IUPAC4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCc1ccc(Nc2ccc(C(=O)N3CCN(C=O)CC3)nc2)cc1C
InChIInChI=1S/C19H22N4O2/c1-14-3-4-16(11-15(14)2)21-17-5-6-18(20-12-17)19(25)23-9-7-22(13-24)8-10-23/h3-6,11-13,21H,7-10H2,1-2H3
InChIKeyVFIHNOOXHYWKJF-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.36
Rot. Bonds4

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

4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109186977) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109186977
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCc1ccc(Nc2ccc(C(=O)N3CCN(C=O)CC3)nc2)cc1C
InChIInChI=1S/C19H22N4O2/c1-14-3-4-16(11-15(14)2)21-17-5-6-18(20-12-17)19(25)23-9-7-22(13-24)8-10-23/h3-6,11-13,21H,7-10H2,1-2H3
InChIKeyVFIHNOOXHYWKJF-UHFFFAOYSA-N
XLogP2.36
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.36
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

4-[5-(3-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186970
4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109187042
4-[5-(5-chloro-2-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186998
ethyl 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194138
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
4-[5-(2-propan-2-ylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186985
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768
4-[5-(3,5-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278795
4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208824

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109186977) is 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is Cc1ccc(Nc2ccc(C(=O)N3CCN(C=O)CC3)nc2)cc1C.
What is the InChIKey of 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is VFIHNOOXHYWKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-3-4-16(11-15(14)2)21-17-5-6-18(20-12-17)19(25)23-9-7-22(13-24)8-10-23/h3-6,11-13,21H,7-10H2,1-2H3.
What are the key properties of 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 338.41 g/mol, XLogP of 2.36, 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-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109186977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).