3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide

C15H16FN3O — CID 110737950

IUPAC3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2cccc(F)c2)nn1
InChIInChI=1S/C15H16FN3O/c1-11-5-7-14(19-18-11)10-17-15(20)8-6-12-3-2-4-13(16)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,20)
InChIKeyFYHDFUILBFWRGQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.17
Rot. Bonds5

About 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide

3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide (PubChem CID 110737950) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
PubChem CID110737950
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCc2cccc(F)c2)nn1
InChIInChI=1S/C15H16FN3O/c1-11-5-7-14(19-18-11)10-17-15(20)8-6-12-3-2-4-13(16)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,20)
InChIKeyFYHDFUILBFWRGQ-UHFFFAOYSA-N
XLogP2.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737936
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(3-fluorophenyl)propanamide
CID 87043554
2-(3-chlorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737958
4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
CID 130901261
3-(3-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]propanamide
CID 97078264
3-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-methylbutyl]propanamide
CID 97078263
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730389
3-(3-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]propanamide
CID 122561459

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide (CID 110737950) is 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide is Cc1ccc(CNC(=O)CCc2cccc(F)c2)nn1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
The InChIKey is FYHDFUILBFWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-11-5-7-14(19-18-11)10-17-15(20)8-6-12-3-2-4-13(16)9-12/h2-5,7,9H,6,8,10H2,1H3,(H,17,20).
What are the key properties of 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide?
3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide has a molecular weight of 273.31 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide is sourced from PubChem (CID 110737950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).