4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen

C17H20F2N4O3 — CID 156741733

IUPAC4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
SMILESCn1nc(NC(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)ccc1=O.[H][H]
InChIInChI=1S/C17H18F2N4O3.H2/c1-22-16(24)5-4-15(21-22)20-17(25)23-8-6-11(7-9-23)26-12-2-3-13(18)14(19)10-12;/h2-5,10-11H,6-9H2,1H3,(H,20,21,25);1H
InChIKeyTXSXGRHDZVSEPE-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.38
Rot. Bonds3

About 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen

4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen (PubChem CID 156741733) has the molecular formula C17H20F2N4O3 and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
PubChem CID156741733
Molecular FormulaC17H20F2N4O3
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC Name4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
SMILESCn1nc(NC(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)ccc1=O.[H][H]
InChIInChI=1S/C17H18F2N4O3.H2/c1-22-16(24)5-4-15(21-22)20-17(25)23-8-6-11(7-9-23)26-12-2-3-13(18)14(19)10-12;/h2-5,10-11H,6-9H2,1H3,(H,20,21,25);1H
InChIKeyTXSXGRHDZVSEPE-UHFFFAOYSA-N
XLogP2.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
ethane;N-(1-methyl-6-oxopyridazin-3-yl)-4-(2-methylphenoxy)piperidine-1-carboxamide;N-(1-methyl-6-oxopyridazin-3-yl)-4-(4-propylphenoxy)piperidine-1-carboxamide;molecular hydrogen
CID 154662299
4-[(2-fluorophenoxy)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662325
4-[2-(3,5-difluorophenyl)ethyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 157412972
4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662305
N-(1-methyl-6-oxopyridazin-3-yl)-4-[2-(trifluoromethyl)anilino]piperidine-1-carboxamide
CID 154662277
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone
CID 143176326
4-[2-fluoro-5-(trifluoromethyl)phenoxy]-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
CID 50915680
4-(2-bromo-4,5-difluorophenoxy)-N-(2-methyl-3-oxopyridazin-4-yl)piperidine-1-carboxamide
CID 50916175
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
4-[(2-chloro-3-cyanophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662466

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen?
The IUPAC name of 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen (CID 156741733) is 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen is Cn1nc(NC(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)ccc1=O.[H][H].
What is the InChIKey of 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen?
The InChIKey is TXSXGRHDZVSEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3.H2/c1-22-16(24)5-4-15(21-22)20-17(25)23-8-6-11(7-9-23)26-12-2-3-13(18)14(19)10-12;/h2-5,10-11H,6-9H2,1H3,(H,20,21,25);1H.
What are the key properties of 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen?
4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen has a molecular weight of 366.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 156741733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).