6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide

C14H13Cl2FN4O2 — CID 69043158

IUPAC6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1cc(OCCc2c(Cl)ccc(F)c2Cl)c(N)nn1
InChIInChI=1S/C14H13Cl2FN4O2/c1-19-14(22)10-6-11(13(18)21-20-10)23-5-4-7-8(15)2-3-9(17)12(7)16/h2-3,6H,4-5H2,1H3,(H2,18,21)(H,19,22)
InChIKeyLKESVOGOISPQIL-UHFFFAOYSA-N
MW359.19 g/mol
LogP2.49
Rot. Bonds5

About 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide

6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide (PubChem CID 69043158) has the molecular formula C14H13Cl2FN4O2 and a molecular weight of 359.19 g/mol. Its IUPAC name is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
PubChem CID69043158
Molecular FormulaC14H13Cl2FN4O2
Molecular Weight359.19 g/mol
Exact Mass358.04
IUPAC Name6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1cc(OCCc2c(Cl)ccc(F)c2Cl)c(N)nn1
InChIInChI=1S/C14H13Cl2FN4O2/c1-19-14(22)10-6-11(13(18)21-20-10)23-5-4-7-8(15)2-3-9(17)12(7)16/h2-3,6H,4-5H2,1H3,(H2,18,21)(H,19,22)
InChIKeyLKESVOGOISPQIL-UHFFFAOYSA-N
XLogP2.49
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide (CID 69043158) is 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide is CNC(=O)c1cc(OCCc2c(Cl)ccc(F)c2Cl)c(N)nn1.
What is the InChIKey of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The InChIKey is LKESVOGOISPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN4O2/c1-19-14(22)10-6-11(13(18)21-20-10)23-5-4-7-8(15)2-3-9(17)12(7)16/h2-3,6H,4-5H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide has a molecular weight of 359.19 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 69043158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).