4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H15ClN4O3 — CID 175689024

IUPAC4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(N)=O)C(c2ccc(Oc3cccc(Cl)c3)cn2)CC1=O
InChIInChI=1S/C17H15ClN4O3/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/h2-7,9,13H,8H2,1H3,(H2,19,24)
InChIKeyVVHOQZAQGIJQCG-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.31
Rot. Bonds4

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

4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 175689024) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID175689024
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(N)=O)C(c2ccc(Oc3cccc(Cl)c3)cn2)CC1=O
InChIInChI=1S/C17H15ClN4O3/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/h2-7,9,13H,8H2,1H3,(H2,19,24)
InChIKeyVVHOQZAQGIJQCG-UHFFFAOYSA-N
XLogP2.31
TPSA97.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 175689024) is 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(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-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VVHOQZAQGIJQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/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/h2-7,9,13H,8H2,1H3,(H2,19,24).
What are the key properties of 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenoxy)-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 175689024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).