6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C18H19N5O3 — CID 109096906

IUPAC6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)NCc3ccccn3)n2)CC1
InChIInChI=1S/C18H19N5O3/c24-13-22-8-10-23(11-9-22)18(26)16-6-3-5-15(21-16)17(25)20-12-14-4-1-2-7-19-14/h1-7,13H,8-12H2,(H,20,25)
InChIKeyHPVMFPVDGXIJMR-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.32
Rot. Bonds5

About 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109096906) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109096906
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)NCc3ccccn3)n2)CC1
InChIInChI=1S/C18H19N5O3/c24-13-22-8-10-23(11-9-22)18(26)16-6-3-5-15(21-16)17(25)20-12-14-4-1-2-7-19-14/h1-7,13H,8-12H2,(H,20,25)
InChIKeyHPVMFPVDGXIJMR-UHFFFAOYSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.32
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

6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109094399
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
4-[6-(pyridin-2-ylmethylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116940
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109326296
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
2-N-propyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093458
3-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 109017955
6-(cyclopropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 84570874
2-N-[(4-chlorophenyl)methyl]-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097921
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
2-(piperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 109081218
N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096948

Frequently Asked Questions

What is the IUPAC name of 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109096906) is 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is O=CN1CCN(C(=O)c2cccc(C(=O)NCc3ccccn3)n2)CC1.
What is the InChIKey of 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HPVMFPVDGXIJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-13-22-8-10-23(11-9-22)18(26)16-6-3-5-15(21-16)17(25)20-12-14-4-1-2-7-19-14/h1-7,13H,8-12H2,(H,20,25).
What are the key properties of 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).