N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide

C14H22ClN3O — CID 114149529

IUPACN-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCCCl)c(C)nn1
InChIInChI=1S/C14H22ClN3O/c1-10-8-12(11(2)18-17-10)13(19)16-9-14(3,4)6-5-7-15/h8H,5-7,9H2,1-4H3,(H,16,19)
InChIKeyDERNZAXJUWLQDC-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.87
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide

N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 114149529) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID114149529
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)CCCCl)c(C)nn1
InChIInChI=1S/C14H22ClN3O/c1-10-8-12(11(2)18-17-10)13(19)16-9-14(3,4)6-5-7-15/h8H,5-7,9H2,1-4H3,(H,16,19)
InChIKeyDERNZAXJUWLQDC-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-3-hydroxy-2-methylbenzamide
CID 106144803
2-[[(3,6-dimethylpyridazine-4-carbonyl)amino]methyl]-2-ethylbutanoic acid
CID 104669910
2-bromo-N-(5-chloro-2,2-dimethylpentyl)-5-methylbenzamide
CID 106144084
N-(1-chloro-3-methylpentan-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 106168140
2,5-dichloro-N-(5-chloro-2,2-dimethylpentyl)benzamide
CID 106144748
4-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-methylbenzamide
CID 106144494
5-chloro-N-(5-chloro-2,2-dimethylpentyl)-2-fluorobenzamide
CID 106144546
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
N-(5-chloro-2,2-dimethylpentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114149579
N-(5-chloro-2,2-dimethylpentyl)-2,6-dimethylbenzamide
CID 114149603
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide (CID 114149529) is N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCC(C)(C)CCCCl)c(C)nn1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is DERNZAXJUWLQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-10-8-12(11(2)18-17-10)13(19)16-9-14(3,4)6-5-7-15/h8H,5-7,9H2,1-4H3,(H,16,19).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 114149529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).