N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H15FN4O3 — CID 139522143

IUPACN-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(COc3ccc(F)cc3)cn2)ccc1=O
InChIInChI=1S/C18H15FN4O3/c1-23-17(24)9-7-15(22-23)18(25)21-16-8-2-12(10-20-16)11-26-14-5-3-13(19)4-6-14/h2-10H,11H2,1H3,(H,20,21,25)
InChIKeyWSBDDAMIIQPOAN-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.15
Rot. Bonds5

About N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 139522143) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID139522143
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(COc3ccc(F)cc3)cn2)ccc1=O
InChIInChI=1S/C18H15FN4O3/c1-23-17(24)9-7-15(22-23)18(25)21-16-8-2-12(10-20-16)11-26-14-5-3-13(19)4-6-14/h2-10H,11H2,1H3,(H,20,21,25)
InChIKeyWSBDDAMIIQPOAN-UHFFFAOYSA-N
XLogP2.15
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 139522143) is N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(COc3ccc(F)cc3)cn2)ccc1=O.
What is the InChIKey of N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is WSBDDAMIIQPOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-23-17(24)9-7-15(22-23)18(25)21-16-8-2-12(10-20-16)11-26-14-5-3-13(19)4-6-14/h2-10H,11H2,1H3,(H,20,21,25).
What are the key properties of N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139522143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).