N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide

C13H20ClN3O — CID 106168140

IUPACN-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C13H20ClN3O/c1-5-13(4,6-7-14)15-12(18)11-8-9(2)16-17-10(11)3/h8H,5-7H2,1-4H3,(H,15,18)
InChIKeyRCVWHTNAJAUWDQ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.62
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide

N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 106168140) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID106168140
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCCC(C)(CCCl)NC(=O)c1cc(C)nnc1C
InChIInChI=1S/C13H20ClN3O/c1-5-13(4,6-7-14)15-12(18)11-8-9(2)16-17-10(11)3/h8H,5-7H2,1-4H3,(H,15,18)
InChIKeyRCVWHTNAJAUWDQ-UHFFFAOYSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.62
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

N-(1-chloro-3-methylpentan-3-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 106168062
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 113434978
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 106168405
N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide
CID 114149529
3,6-dimethyl-N-(2-methylbut-3-yn-2-yl)pyridazine-4-carboxamide
CID 115877389
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 106168237
N-(1-chloro-3-methylpentan-3-yl)-2-fluoro-4-hydroxybenzamide
CID 106168256
N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
CID 106168756
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106168602
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethoxybenzamide
CID 106168512
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide (CID 106168140) is N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide is CCC(C)(CCCl)NC(=O)c1cc(C)nnc1C.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is RCVWHTNAJAUWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-5-13(4,6-7-14)15-12(18)11-8-9(2)16-17-10(11)3/h8H,5-7H2,1-4H3,(H,15,18).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide?
N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 106168140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).