6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide

C14H14ClN3O2 — CID 61042256

IUPAC6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C14H14ClN3O2/c1-18(9-10-20-11-5-3-2-4-6-11)14(19)12-7-8-13(15)17-16-12/h2-8H,9-10H2,1H3
InChIKeyQPTAVEQKMBERKM-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.28
Rot. Bonds5

About 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide

6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 61042256) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID61042256
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C14H14ClN3O2/c1-18(9-10-20-11-5-3-2-4-6-11)14(19)12-7-8-13(15)17-16-12/h2-8H,9-10H2,1H3
InChIKeyQPTAVEQKMBERKM-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
3-amino-N-methyl-N-(2-phenoxyethyl)pyrazine-2-carboxamide
CID 18136300
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-[2-(4-bromophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 112793960
6-bromo-N-methyl-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 103875146
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
1-[(2-fluorophenyl)methyl]-N-methyl-N-(2-phenoxyethyl)triazole-4-carboxamide
CID 25277558
N-[2-(3-chlorophenoxy)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31643907
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 61042256) is 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide is CN(CCOc1ccccc1)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is QPTAVEQKMBERKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-18(9-10-20-11-5-3-2-4-6-11)14(19)12-7-8-13(15)17-16-12/h2-8H,9-10H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide?
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 61042256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).