1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide

C17H20ClN3O3 — CID 111698157

IUPAC1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CC(C)(C)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O3/c1-11-8-14(22)15(16(23)20(4)10-17(2,3)24)19-21(11)13-7-5-6-12(18)9-13/h5-9,24H,10H2,1-4H3
InChIKeyBSSWLVBVSOCMDT-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.04
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide

1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide (PubChem CID 111698157) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
PubChem CID111698157
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CC(C)(C)O)nn1-c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN3O3/c1-11-8-14(22)15(16(23)20(4)10-17(2,3)24)19-21(11)13-7-5-6-12(18)9-13/h5-9,24H,10H2,1-4H3
InChIKeyBSSWLVBVSOCMDT-UHFFFAOYSA-N
XLogP2.04
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide (CID 111698157) is 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)CC(C)(C)O)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
The InChIKey is BSSWLVBVSOCMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11-8-14(22)15(16(23)20(4)10-17(2,3)24)19-21(11)13-7-5-6-12(18)9-13/h5-9,24H,10H2,1-4H3.
What are the key properties of 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide?
1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111698157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).