1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide

C21H21FN6O2 — CID 55705198

IUPAC1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(c3ncccn3)CC2)nn1-c1ccccc1F
InChIInChI=1S/C21H21FN6O2/c1-14-13-18(29)19(26-28(14)17-6-3-2-5-16(17)22)20(30)25-15-7-11-27(12-8-15)21-23-9-4-10-24-21/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,25,30)
InChIKeyQNPQRVXAYJPKKG-UHFFFAOYSA-N
MW408.44 g/mol
LogP1.87
Rot. Bonds4

About 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide (PubChem CID 55705198) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
PubChem CID55705198
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCN(c3ncccn3)CC2)nn1-c1ccccc1F
InChIInChI=1S/C21H21FN6O2/c1-14-13-18(29)19(26-28(14)17-6-3-2-5-16(17)22)20(30)25-15-7-11-27(12-8-15)21-23-9-4-10-24-21/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,25,30)
InChIKeyQNPQRVXAYJPKKG-UHFFFAOYSA-N
XLogP1.87
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide (CID 55705198) is 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCN(c3ncccn3)CC2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
The InChIKey is QNPQRVXAYJPKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-14-13-18(29)19(26-28(14)17-6-3-2-5-16(17)22)20(30)25-15-7-11-27(12-8-15)21-23-9-4-10-24-21/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,25,30).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-4-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 55705198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).