6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide

C14H14Cl2N4O2 — CID 133340200

IUPAC6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC(O)c2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C14H14Cl2N4O2/c1-17-14(22)10-5-6-12(20-19-10)18-7-11(21)13-8(15)3-2-4-9(13)16/h2-6,11,21H,7H2,1H3,(H,17,22)(H,18,20)
InChIKeyYUDMFWGEBQMGKA-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.29
Rot. Bonds5

About 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide

6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide (PubChem CID 133340200) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide
PubChem CID133340200
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCC(O)c2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C14H14Cl2N4O2/c1-17-14(22)10-5-6-12(20-19-10)18-7-11(21)13-8(15)3-2-4-9(13)16/h2-6,11,21H,7H2,1H3,(H,17,22)(H,18,20)
InChIKeyYUDMFWGEBQMGKA-UHFFFAOYSA-N
XLogP2.29
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide (CID 133340200) is 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCC(O)c2c(Cl)cccc2Cl)nn1.
What is the InChIKey of 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is YUDMFWGEBQMGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-17-14(22)10-5-6-12(20-19-10)18-7-11(21)13-8(15)3-2-4-9(13)16/h2-6,11,21H,7H2,1H3,(H,17,22)(H,18,20).
What are the key properties of 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide?
6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2,6-dichlorophenyl)-2-hydroxyethyl]amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133340200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).