1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide

C19H22ClN3O2 — CID 9082115

IUPAC1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-12-17(24)18(19(25)21-14-8-4-2-3-5-9-14)22-23(13)16-11-7-6-10-15(16)20/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,21,25)
InChIKeyFTWQDRXZTXEZQM-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.65
Rot. Bonds3

About 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide

1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 9082115) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID9082115
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2CCCCCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O2/c1-13-12-17(24)18(19(25)21-14-8-4-2-3-5-9-14)22-23(13)16-11-7-6-10-15(16)20/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,21,25)
InChIKeyFTWQDRXZTXEZQM-UHFFFAOYSA-N
XLogP3.65
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide (CID 9082115) is 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2CCCCCC2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is FTWQDRXZTXEZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-12-17(24)18(19(25)21-14-8-4-2-3-5-9-14)22-23(13)16-11-7-6-10-15(16)20/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,21,25).
What are the key properties of 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide?
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 9082115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).