6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide

C13H18ClN3O — CID 54932474

IUPAC6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1ccc(Cl)nn1
InChIInChI=1S/C13H18ClN3O/c14-12-7-6-11(16-17-12)13(18)15-9-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,15,18)
InChIKeySNXMOWUOOVDNNI-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.83
Rot. Bonds4

About 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide

6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide (PubChem CID 54932474) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
PubChem CID54932474
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCC1CCCCC1)c1ccc(Cl)nn1
InChIInChI=1S/C13H18ClN3O/c14-12-7-6-11(16-17-12)13(18)15-9-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,15,18)
InChIKeySNXMOWUOOVDNNI-UHFFFAOYSA-N
XLogP2.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(2-cyclobutylethyl)pyridazine-3-carboxamide
CID 86026045
N-(2-cyclohexylethyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62235799
6-chloro-N-(2-cyclobutylethyl)pyridazine-3-carboxamide;N-(2-cyclobutylethyl)-6-piperazin-1-ylpyridazine-3-carboxamide
CID 157465812
5-carbamothioyl-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 55230785
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
6-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146608
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
6-chloro-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 63712476
N-(2-cyclopentylethyl)-5-(N'-hydroxycarbamimidoyl)pyridine-2-carboxamide
CID 77005261
6-chloro-N-[(3-hydroxycyclopentyl)methyl]pyridazine-3-carboxamide
CID 106120095
6-chloro-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 60859027
N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 47338961

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide (CID 54932474) is 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide is O=C(NCCC1CCCCC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide?
The InChIKey is SNXMOWUOOVDNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-12-7-6-11(16-17-12)13(18)15-9-8-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2,(H,15,18).
What are the key properties of 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide?
6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyclohexylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54932474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).