6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C21H21FN6O — CID 109121392

IUPAC6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C21H21FN6O/c22-17-3-1-2-4-19(17)27-11-13-28(14-12-27)20-6-5-18(25-26-20)21(29)24-15-16-7-9-23-10-8-16/h1-10H,11-15H2,(H,24,29)
InChIKeyVZIRBWCNHLZOKL-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.27
Rot. Bonds5

About 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109121392) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID109121392
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCN(c3ccccc3F)CC2)nn1
InChIInChI=1S/C21H21FN6O/c22-17-3-1-2-4-19(17)27-11-13-28(14-12-27)20-6-5-18(25-26-20)21(29)24-15-16-7-9-23-10-8-16/h1-10H,11-15H2,(H,24,29)
InChIKeyVZIRBWCNHLZOKL-UHFFFAOYSA-N
XLogP2.27
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-enylpyridazine-3-carboxamide
CID 109110446
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109124021
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
6-(2-fluoroanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121435
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109191619
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 109121392) is 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(N2CCN(c3ccccc3F)CC2)nn1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is VZIRBWCNHLZOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c22-17-3-1-2-4-19(17)27-11-13-28(14-12-27)20-6-5-18(25-26-20)21(29)24-15-16-7-9-23-10-8-16/h1-10H,11-15H2,(H,24,29).
What are the key properties of 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).