N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide

C13H19N3O2 — CID 42443192

IUPACN-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(C)n1)C1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-15(10-6-4-3-5-7-10)13(18)11-8-9-12(17)16(2)14-11/h8-10H,3-7H2,1-2H3
InChIKeyRXJWFBWFGNBDBX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds2

About N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide

N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide (PubChem CID 42443192) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide
PubChem CID42443192
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(C)n1)C1CCCCC1
InChIInChI=1S/C13H19N3O2/c1-15(10-6-4-3-5-7-10)13(18)11-8-9-12(17)16(2)14-11/h8-10H,3-7H2,1-2H3
InChIKeyRXJWFBWFGNBDBX-UHFFFAOYSA-N
XLogP1.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide (CID 42443192) is N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)n(C)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is RXJWFBWFGNBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15(10-6-4-3-5-7-10)13(18)11-8-9-12(17)16(2)14-11/h8-10H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide?
N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,1-dimethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42443192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).