4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

C18H19ClN4O3 — CID 109208801

IUPAC4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(Cl)cc1Nc1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C18H19ClN4O3/c1-26-17-3-2-13(19)10-15(17)21-14-4-5-20-16(11-14)18(25)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,20,21)
InChIKeyVWJCHYPBPBKVFV-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.40
Rot. Bonds5

About 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde

4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109208801) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
PubChem CID109208801
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(Cl)cc1Nc1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C18H19ClN4O3/c1-26-17-3-2-13(19)10-15(17)21-14-4-5-20-16(11-14)18(25)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,20,21)
InChIKeyVWJCHYPBPBKVFV-UHFFFAOYSA-N
XLogP2.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117020
4-[4-(3-chloro-4-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208797
methyl 3-[[2-(4-formylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109208822
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208824
4-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204841
4-[5-(5-chloro-2-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186998
4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109201896
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde (CID 109208801) is 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is COc1ccc(Cl)cc1Nc1ccnc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is VWJCHYPBPBKVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-26-17-3-2-13(19)10-15(17)21-14-4-5-20-16(11-14)18(25)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde?
4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 374.83 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109208801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).