N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide

C15H22ClN3O — CID 106366828

IUPACN-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C15H22ClN3O/c1-3-13-12(8-10(2)18-19-13)15(20)17-14-7-5-4-6-11(14)9-16/h8,11,14H,3-7,9H2,1-2H3,(H,17,20)
InChIKeyKKAZXWFCKCEFQY-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.87
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide

N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 106366828) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID106366828
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC1CCCCC1CCl
InChIInChI=1S/C15H22ClN3O/c1-3-13-12(8-10(2)18-19-13)15(20)17-14-7-5-4-6-11(14)9-16/h8,11,14H,3-7,9H2,1-2H3,(H,17,20)
InChIKeyKKAZXWFCKCEFQY-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(3-hydroxycyclobutyl)-6-methylpyridazine-4-carboxamide
CID 113439347
4-chloro-N-[2-(chloromethyl)cyclohexyl]-2-methylbenzamide
CID 114179592
N-[2-(chloromethyl)cyclohexyl]-2-hydroxy-3-methylbenzamide
CID 106366835
N-[(1R,2R)-2-hydroxycyclohexyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104927899
N-[2-(chloromethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 114179613
N-[2-(chloromethyl)cyclopentyl]-2,3-dimethylbenzamide
CID 114179397
2,5-dibromo-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106367028
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
3,4-dichloro-N-[2-(chloromethyl)cyclohexyl]benzamide
CID 106366901
N-[2-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide
CID 106366958
N-[2-(chloromethyl)cyclohexyl]-4-fluoro-2-hydroxybenzamide
CID 106366865
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide (CID 106366828) is N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is KKAZXWFCKCEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-13-12(8-10(2)18-19-13)15(20)17-14-7-5-4-6-11(14)9-16/h8,11,14H,3-7,9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 106366828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).