4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide

C11H15ClN4O2 — CID 104513820

IUPAC4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O2/c1-13-11(17)9-7-18-5-4-16(9)6-8-2-3-10(12)15-14-8/h2-3,9H,4-7H2,1H3,(H,13,17)
InChIKeyRINXLNCCGPIIPC-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.08
Rot. Bonds3

About 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide

4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide (PubChem CID 104513820) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
PubChem CID104513820
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1Cc1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O2/c1-13-11(17)9-7-18-5-4-16(9)6-8-2-3-10(12)15-14-8/h2-3,9H,4-7H2,1H3,(H,13,17)
InChIKeyRINXLNCCGPIIPC-UHFFFAOYSA-N
XLogP0.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
4-[(2-aminopyrimidin-4-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 112751291
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176
4-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylmorpholine-3-carboxamide
CID 83098819
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[(2-amino-4-pyridinyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83103647
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
4-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylmorpholine-3-carboxamide
CID 83105768
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577
4-[(4-cyano-2-methylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 114481288
4-[(2,6-dichloro-3-pyridinyl)methyl]-N-ethylmorpholine-3-carboxamide
CID 106993901

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide (CID 104513820) is 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1Cc1ccc(Cl)nn1.
What is the InChIKey of 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is RINXLNCCGPIIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-13-11(17)9-7-18-5-4-16(9)6-8-2-3-10(12)15-14-8/h2-3,9H,4-7H2,1H3,(H,13,17).
What are the key properties of 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide?
4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridazin-3-yl)methyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 104513820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).