6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide

C14H13Cl2FN4O2 — CID 24961495

IUPAC6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1cc(OC(C)c2c(Cl)ccc(F)c2Cl)c(N)nn1
InChIInChI=1S/C14H13Cl2FN4O2/c1-6(11-7(15)3-4-8(17)12(11)16)23-10-5-9(14(22)19-2)20-21-13(10)18/h3-6H,1-2H3,(H2,18,21)(H,19,22)
InChIKeyOVKBKUAFDDPMMT-UHFFFAOYSA-N
MW359.19 g/mol
LogP3.00
Rot. Bonds4

About 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide

6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide (PubChem CID 24961495) has the molecular formula C14H13Cl2FN4O2 and a molecular weight of 359.19 g/mol. Its IUPAC name is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
PubChem CID24961495
Molecular FormulaC14H13Cl2FN4O2
Molecular Weight359.19 g/mol
Exact Mass358.04
IUPAC Name6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1cc(OC(C)c2c(Cl)ccc(F)c2Cl)c(N)nn1
InChIInChI=1S/C14H13Cl2FN4O2/c1-6(11-7(15)3-4-8(17)12(11)16)23-10-5-9(14(22)19-2)20-21-13(10)18/h3-6H,1-2H3,(H2,18,21)(H,19,22)
InChIKeyOVKBKUAFDDPMMT-UHFFFAOYSA-N
XLogP3.00
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 53.00
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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Related Compounds

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N-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)phenyl]-6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxamide
CID 56960225
6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]pyridazine-3-carboxamide
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6-amino-N-[4-(1,4-diazepane-1-carbonyl)phenyl]-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazine-3-carboxamide
CID 56960228
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CID 56951325
6-Amino-5-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-N-(4-((3S,5R)-3,5-dimethylpiperazine-1-carbonyl)phenyl)pyridazine-3-carboxamide hydrochloride
CID 132190581
[4-[6-Amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]phenyl]-morpholin-4-ylmethanone
CID 24959292
[4-[6-Amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 24959293
[4-[6-Amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridazin-3-yl]phenyl]-piperazin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide (CID 24961495) is 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide is CNC(=O)c1cc(OC(C)c2c(Cl)ccc(F)c2Cl)c(N)nn1.
What is the InChIKey of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
The InChIKey is OVKBKUAFDDPMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN4O2/c1-6(11-7(15)3-4-8(17)12(11)16)23-10-5-9(14(22)19-2)20-21-13(10)18/h3-6H,1-2H3,(H2,18,21)(H,19,22).
What are the key properties of 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide?
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide has a molecular weight of 359.19 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 24961495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).