N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide

C15H16N6O2 — CID 113040477

IUPACN-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=CN1CCN(c2ccc(NC(=O)c3cccnc3)nn2)CC1
InChIInChI=1S/C15H16N6O2/c22-11-20-6-8-21(9-7-20)14-4-3-13(18-19-14)17-15(23)12-2-1-5-16-10-12/h1-5,10-11H,6-9H2,(H,17,18,23)
InChIKeyHHXVUUOUUWFHBC-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.40
Rot. Bonds4

About N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide

N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113040477) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113040477
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC NameN-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
SMILESO=CN1CCN(c2ccc(NC(=O)c3cccnc3)nn2)CC1
InChIInChI=1S/C15H16N6O2/c22-11-20-6-8-21(9-7-20)14-4-3-13(18-19-14)17-15(23)12-2-1-5-16-10-12/h1-5,10-11H,6-9H2,(H,17,18,23)
InChIKeyHHXVUUOUUWFHBC-UHFFFAOYSA-N
XLogP0.40
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046065
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113026047
4-chloro-N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043874
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]benzamide
CID 113043687
3-chloro-N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113043115
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 122334551
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113040480
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide (CID 113040477) is N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide is O=CN1CCN(c2ccc(NC(=O)c3cccnc3)nn2)CC1.
What is the InChIKey of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is HHXVUUOUUWFHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c22-11-20-6-8-21(9-7-20)14-4-3-13(18-19-14)17-15(23)12-2-1-5-16-10-12/h1-5,10-11H,6-9H2,(H,17,18,23).
What are the key properties of N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-formylpiperazin-1-yl)pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113040477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).