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

C17H13ClN4O3 — CID 175688688

IUPAC4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(N)=O)c(-c2ccc(Oc3cccc(Cl)c3)cn2)cc1=O
InChIInChI=1S/C17H13ClN4O3/c1-22-15(23)8-13(16(21-22)17(19)24)14-6-5-12(9-20-14)25-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,24)
InChIKeyWGSOWUBSXPSQTR-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.39
Rot. Bonds4

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

4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 175688688) has the molecular formula C17H13ClN4O3 and a molecular weight of 356.77 g/mol. Its IUPAC name is 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID175688688
Molecular FormulaC17H13ClN4O3
Molecular Weight356.77 g/mol
Exact Mass356.07
IUPAC Name4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(N)=O)c(-c2ccc(Oc3cccc(Cl)c3)cn2)cc1=O
InChIInChI=1S/C17H13ClN4O3/c1-22-15(23)8-13(16(21-22)17(19)24)14-6-5-12(9-20-14)25-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,24)
InChIKeyWGSOWUBSXPSQTR-UHFFFAOYSA-N
XLogP2.39
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 175688688) is 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(N)=O)c(-c2ccc(Oc3cccc(Cl)c3)cn2)cc1=O.
What is the InChIKey of 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is WGSOWUBSXPSQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O3/c1-22-15(23)8-13(16(21-22)17(19)24)14-6-5-12(9-20-14)25-11-4-2-3-10(18)7-11/h2-9H,1H3,(H2,19,24).
What are the key properties of 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 175688688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).