N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

C20H20ClN5O6S — CID 169147212

IUPACN-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cnnc(OCC3(S(=O)(=O)NO)CC3)c21
InChIInChI=1S/C20H20ClN5O6S/c1-26-16-13(10-23-24-18(16)32-11-20(6-7-20)33(30,31)25-29)8-15(19(26)28)17(27)22-9-12-2-4-14(21)5-3-12/h2-5,8,10,25,29H,6-7,9,11H2,1H3,(H,22,27)
InChIKeyYOGOPBVFWUQBNQ-UHFFFAOYSA-N
MW493.93 g/mol
LogP1.13
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (PubChem CID 169147212) has the molecular formula C20H20ClN5O6S and a molecular weight of 493.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
PubChem CID169147212
Molecular FormulaC20H20ClN5O6S
Molecular Weight493.93 g/mol
Exact Mass493.08
IUPAC NameN-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cnnc(OCC3(S(=O)(=O)NO)CC3)c21
InChIInChI=1S/C20H20ClN5O6S/c1-26-16-13(10-23-24-18(16)32-11-20(6-7-20)33(30,31)25-29)8-15(19(26)28)17(27)22-9-12-2-4-14(21)5-3-12/h2-5,8,10,25,29H,6-7,9,11H2,1H3,(H,22,27)
InChIKeyYOGOPBVFWUQBNQ-UHFFFAOYSA-N
XLogP1.13
TPSA152.51 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.93
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyanophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147238
N-[(4-chlorophenyl)methyl]-8-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147154
N-[(4-chlorophenyl)methyl]-8-[(1-cyclobutylsulfonylcyclopropyl)methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169146969
N-[(4-cyanophenyl)methyl]-8-[[1-(dimethylsulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147204
N-[(4-cyanophenyl)methyl]-1-methyl-2-oxo-8-[[1-(1,3-thiazol-2-ylsulfamoyl)cyclopropyl]methoxy]pyrido[2,3-d]pyridazine-3-carboxamide
CID 169147430
N-[(4-cyanophenyl)methyl]-8-[[1-[methoxy(methyl)sulfamoyl]cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147079
N-[(6-chloro-3-pyridinyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
CID 169147582
N-[(4-cyano-3,5-difluorophenyl)methyl]-8-[(1-cyclopropylsulfonylcyclopropyl)methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147346
N-[(4-cyano-3-fluorophenyl)methyl]-1-methyl-8-[[1-[methyl(2-methylpropyl)sulfamoyl]cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide
CID 169147510
N-[(4-cyanophenyl)methyl]-1-methyl-8-[[1-(1,3-oxazepan-3-ylsulfonyl)cyclopropyl]methoxy]-2-oxopyrido[2,3-d]pyridazine-3-carboxamide;molecular hydrogen
CID 169146985
1-[[1-methyl-3-[[4-(methylamino)phenyl]methylcarbamoyl]-2-oxo-1,7-naphthyridin-8-yl]oxymethyl]cyclopropane-1-sulfonyl chloride
CID 169147699
8-[[1-[bis[(4-methoxyphenyl)methyl]sulfamoyl]cyclopropyl]methoxy]-N-[(4-chlorophenyl)methyl]-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 169147277

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide (CID 169147212) is N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2cnnc(OCC3(S(=O)(=O)NO)CC3)c21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
The InChIKey is YOGOPBVFWUQBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O6S/c1-26-16-13(10-23-24-18(16)32-11-20(6-7-20)33(30,31)25-29)8-15(19(26)28)17(27)22-9-12-2-4-14(21)5-3-12/h2-5,8,10,25,29H,6-7,9,11H2,1H3,(H,22,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide has a molecular weight of 493.93 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-8-[[1-(hydroxysulfamoyl)cyclopropyl]methoxy]-1-methyl-2-oxopyrido[2,3-d]pyridazine-3-carboxamide is sourced from PubChem (CID 169147212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).