3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide

C18H21FN4O3 — CID 91911758

IUPAC3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cnn(C)c(=O)c3)CC2)cc1F
InChIInChI=1S/C18H21FN4O3/c1-22-17(24)10-14(11-20-22)23-7-5-13(6-8-23)21-18(25)12-3-4-16(26-2)15(19)9-12/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,25)
InChIKeyDIAUZGQUJJBASK-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.33
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide

3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide (PubChem CID 91911758) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
PubChem CID91911758
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3cnn(C)c(=O)c3)CC2)cc1F
InChIInChI=1S/C18H21FN4O3/c1-22-17(24)10-14(11-20-22)23-7-5-13(6-8-23)21-18(25)12-3-4-16(26-2)15(19)9-12/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,25)
InChIKeyDIAUZGQUJJBASK-UHFFFAOYSA-N
XLogP1.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 91911783
4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide
CID 91924018
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 91924029
N-[1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-3-fluoro-4-methoxybenzamide
CID 83275374
3-fluoro-4-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)benzamide
CID 119101493
N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 91924014
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 91924080
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 99741627
5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
N-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-3-methoxybenzamide
CID 91911835
3-fluoro-4-methoxy-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100614102

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide (CID 91911758) is 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3cnn(C)c(=O)c3)CC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide?
The InChIKey is DIAUZGQUJJBASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-22-17(24)10-14(11-20-22)23-7-5-13(6-8-23)21-18(25)12-3-4-16(26-2)15(19)9-12/h3-4,9-11,13H,5-8H2,1-2H3,(H,21,25).
What are the key properties of 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide?
3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 91911758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).