6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide

C13H18ClN3O — CID 55069123

IUPAC6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nn1)C1CCCCC1
InChIInChI=1S/C13H18ClN3O/c1-9(10-5-3-2-4-6-10)15-13(18)11-7-8-12(14)17-16-11/h7-10H,2-6H2,1H3,(H,15,18)
InChIKeyZTQZRNUQBDNTNI-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.83
Rot. Bonds3

About 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide

6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide (PubChem CID 55069123) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide
PubChem CID55069123
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nn1)C1CCCCC1
InChIInChI=1S/C13H18ClN3O/c1-9(10-5-3-2-4-6-10)15-13(18)11-7-8-12(14)17-16-11/h7-10H,2-6H2,1H3,(H,15,18)
InChIKeyZTQZRNUQBDNTNI-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 106551401
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
6-chloro-N-[cyclopropyl(phenyl)methyl]pyridazine-3-carboxamide
CID 61041207
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
5-chloro-N-(1-cyclohexylethyl)-2-fluorobenzamide
CID 62405432
2-amino-6-chloro-N-(1-cyclohexylethyl)pyridine-4-carboxamide
CID 62407259
6-amino-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 114035892
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
4-amino-3-chloro-N-[(1S)-1-cyclopentylethyl]benzamide
CID 81388850
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide (CID 55069123) is 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide is CC(NC(=O)c1ccc(Cl)nn1)C1CCCCC1.
What is the InChIKey of 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide?
The InChIKey is ZTQZRNUQBDNTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-9(10-5-3-2-4-6-10)15-13(18)11-7-8-12(14)17-16-11/h7-10H,2-6H2,1H3,(H,15,18).
What are the key properties of 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide?
6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclohexylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 55069123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).