4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde

C20H24N4O3 — CID 109168877

IUPAC4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C20H24N4O3/c1-15(2)27-18-6-4-3-5-17(18)22-19-13-16(7-8-21-19)20(26)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,21,22)
InChIKeyKSUCWIOGVWKUFN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.53
Rot. Bonds6

About 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109168877) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109168877
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCC(C)Oc1ccccc1Nc1cc(C(=O)N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C20H24N4O3/c1-15(2)27-18-6-4-3-5-17(18)22-19-13-16(7-8-21-19)20(26)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,21,22)
InChIKeyKSUCWIOGVWKUFN-UHFFFAOYSA-N
XLogP2.53
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.53
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-[2-(2-propan-2-yloxyanilino)pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254405
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
(2-ethylpiperidin-1-yl)-[2-(2-propan-2-yloxyanilino)-4-pyridinyl]methanone
CID 109175650
4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168896
N-(2-methoxyphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109177874
azepan-1-yl-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109162030
N-(3-acetylphenyl)-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109178282
N-benzyl-N-methyl-2-(2-propan-2-yloxyanilino)pyridine-4-carboxamide
CID 109170258
3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108961120
4-[5-(2-methoxyanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278823
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde (CID 109168877) is 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde is CC(C)Oc1ccccc1Nc1cc(C(=O)N2CCN(C=O)CC2)ccn1.
What is the InChIKey of 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is KSUCWIOGVWKUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-15(2)27-18-6-4-3-5-17(18)22-19-13-16(7-8-21-19)20(26)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 368.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propan-2-yloxyanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109168877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).