N-cycloheptyl-6-methoxypyridazine-3-carboxamide

C13H19N3O2 — CID 90509309

IUPACN-cycloheptyl-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)nn1
InChIInChI=1S/C13H19N3O2/c1-18-12-9-8-11(15-16-12)13(17)14-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,17)
InChIKeyGMJHLMKCDDJAGI-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.94
Rot. Bonds3

About N-cycloheptyl-6-methoxypyridazine-3-carboxamide

N-cycloheptyl-6-methoxypyridazine-3-carboxamide (PubChem CID 90509309) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cycloheptyl-6-methoxypyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-methoxypyridazine-3-carboxamide
PubChem CID90509309
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cycloheptyl-6-methoxypyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)nn1
InChIInChI=1S/C13H19N3O2/c1-18-12-9-8-11(15-16-12)13(17)14-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,17)
InChIKeyGMJHLMKCDDJAGI-UHFFFAOYSA-N
XLogP1.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-methoxypyridazine-3-carboxamide
CID 90509273
6-methoxy-N-(2-methylcyclohexyl)pyridazine-3-carboxamide
CID 90509274
N-cyclohexyl-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109112980
N-cyclohexyl-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112809
6-(cycloheptylamino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110063
N-cycloheptyl-6-(ethylamino)pyridazine-3-carboxamide
CID 55042572
N-cyclohexyl-3,6-dimethoxypyridazine-4-carboxamide
CID 164895631
N-cyclopentyl-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112077
6-methoxy-N-propan-2-ylpyridazine-3-carboxamide
CID 129166823
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
N-cyclohexyl-6-phenylpyridazine-3-carboxamide
CID 113200519

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-methoxypyridazine-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-methoxypyridazine-3-carboxamide (CID 90509309) is N-cycloheptyl-6-methoxypyridazine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-methoxypyridazine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-methoxypyridazine-3-carboxamide is COc1ccc(C(=O)NC2CCCCCC2)nn1.
What is the InChIKey of N-cycloheptyl-6-methoxypyridazine-3-carboxamide?
The InChIKey is GMJHLMKCDDJAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-12-9-8-11(15-16-12)13(17)14-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,17).
What are the key properties of N-cycloheptyl-6-methoxypyridazine-3-carboxamide?
N-cycloheptyl-6-methoxypyridazine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-methoxypyridazine-3-carboxamide is sourced from PubChem (CID 90509309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).