1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

C16H18N4O4S — CID 2082174

IUPAC1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O
InChIInChI=1S/C16H18N4O4S/c1-19-15(21)9-8-14(18-19)16(22)17-12-4-6-13(7-5-12)25(23,24)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H,17,22)
InChIKeyIOVHUKMKECNXHV-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.82
Rot. Bonds4

About 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (PubChem CID 2082174) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
PubChem CID2082174
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O
InChIInChI=1S/C16H18N4O4S/c1-19-15(21)9-8-14(18-19)16(22)17-12-4-6-13(7-5-12)25(23,24)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H,17,22)
InChIKeyIOVHUKMKECNXHV-UHFFFAOYSA-N
XLogP0.82
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (CID 2082174) is 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The InChIKey is IOVHUKMKECNXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-19-15(21)9-8-14(18-19)16(22)17-12-4-6-13(7-5-12)25(23,24)20-10-2-3-11-20/h4-9H,2-3,10-11H2,1H3,(H,17,22).
What are the key properties of 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 2082174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).