N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

C17H19FN4O — CID 71778546

IUPACN-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCC3)nn2)cc1F
InChIInChI=1S/C17H19FN4O/c1-12-5-6-13(11-14(12)18)19-17(23)15-7-8-16(21-20-15)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,23)
InChIKeyQWUXZMFKIBEXKP-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.17
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide

N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778546) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID71778546
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCCCC3)nn2)cc1F
InChIInChI=1S/C17H19FN4O/c1-12-5-6-13(11-14(12)18)19-17(23)15-7-8-16(21-20-15)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,23)
InChIKeyQWUXZMFKIBEXKP-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(4-fluoro-3-nitrophenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027923
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555
6-(azepan-1-yl)-N-(4-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 109126380
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112603
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazin-3-amine
CID 6404338
6-(azepan-1-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109126362
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
N-(5-amino-2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120568178

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide (CID 71778546) is N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCCCC3)nn2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is QWUXZMFKIBEXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-12-5-6-13(11-14(12)18)19-17(23)15-7-8-16(21-20-15)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3,(H,19,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).