2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide

C17H18FN3O3 — CID 22452215

IUPAC2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)c(F)c2)nn(CC2CC2)c1=O
InChIInChI=1S/C17H18FN3O3/c1-19-16(22)12-8-14(11-5-6-15(24-2)13(18)7-11)20-21(17(12)23)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyLVRVAYUGTRISAS-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.83
Rot. Bonds5

About 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide

2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide (PubChem CID 22452215) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide
PubChem CID22452215
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide
SMILESCNC(=O)c1cc(-c2ccc(OC)c(F)c2)nn(CC2CC2)c1=O
InChIInChI=1S/C17H18FN3O3/c1-19-16(22)12-8-14(11-5-6-15(24-2)13(18)7-11)20-21(17(12)23)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyLVRVAYUGTRISAS-UHFFFAOYSA-N
XLogP1.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[bis(2-hydroxyethyl)amino]methyl]-2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
CID 10200461
2-(cyclopropylmethyl)-N-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxamide
CID 22452196
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(3-piperazin-1-ylpropyl)pyridazin-3-one
CID 10157823
2-(cyclopentylmethyl)-6-(3-fluoro-4-methoxyphenyl)-4-(piperazin-1-ylmethyl)pyridazin-3-one
CID 10111611
2-[1-(2-cyclohexylacetyl)piperidin-4-yl]-6-(3-fluoro-4-methoxyphenyl)pyridazin-3-one
CID 95807602
2-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one
CID 16669834
methyl 6-(3,4-dimethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 12971765
6-(3-fluoro-4-methoxyphenyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]pyridazin-3-one
CID 46950592
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983
4-(bromomethyl)-6-(3-fluoro-4-methoxyphenyl)-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 23102902
2-[[1-(2,6-difluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 16669446
N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 46105464

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide (CID 22452215) is 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide is CNC(=O)c1cc(-c2ccc(OC)c(F)c2)nn(CC2CC2)c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide?
The InChIKey is LVRVAYUGTRISAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-19-16(22)12-8-14(11-5-6-15(24-2)13(18)7-11)20-21(17(12)23)9-10-3-4-10/h5-8,10H,3-4,9H2,1-2H3,(H,19,22).
What are the key properties of 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide?
2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-(3-fluoro-4-methoxyphenyl)-N-methyl-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 22452215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).