N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide

C14H17ClN4O3 — CID 15016355

IUPACN-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
SMILESNCCNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C14H17ClN4O3/c15-10-7-9(11-2-4-13(20)19-18-11)1-3-12(10)22-8-14(21)17-6-5-16/h1,3,7H,2,4-6,8,16H2,(H,17,21)(H,19,20)
InChIKeyOBCUMABHBVGWSX-UHFFFAOYSA-N
MW324.77 g/mol
LogP0.41
Rot. Bonds6

About N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide

N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide (PubChem CID 15016355) has the molecular formula C14H17ClN4O3 and a molecular weight of 324.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
PubChem CID15016355
Molecular FormulaC14H17ClN4O3
Molecular Weight324.77 g/mol
Exact Mass324.10
IUPAC NameN-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
SMILESNCCNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C14H17ClN4O3/c15-10-7-9(11-2-4-13(20)19-18-11)1-3-12(10)22-8-14(21)17-6-5-16/h1,3,7H,2,4-6,8,16H2,(H,17,21)(H,19,20)
InChIKeyOBCUMABHBVGWSX-UHFFFAOYSA-N
XLogP0.41
TPSA105.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 15016354
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-propan-2-ylacetohydrazide
CID 19905297
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde
CID 59827332
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]acetamide
CID 11518997
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-[3-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]-3-isocyanophenoxy]propyl]acetamide
CID 58833590
2-[2-methyl-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetic acid
CID 71056362
2-[2-chloro-4-(6-sulfanylidene-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]-N-morpholin-4-ylacetamide
CID 139628608
[4-[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]ethyl]phenyl] 2,2-dimethylpropanoate
CID 59706599
3-[3-chloro-4-[2-oxo-2-[4-[3-[2-(trifluoromethoxy)phenoxy]propylamino]piperidin-1-yl]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 143237003
N-[2-[4-[[(2S)-oxiran-2-yl]methoxy]phenyl]ethyl]-2-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 59706613
3-[3-chloro-4-[2-[4-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]piperidin-1-yl]-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 11635098
N-[4-(3-aminopropylamino)butyl]-2-(2,4-dichlorophenoxy)acetamide
CID 14751497

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide (CID 15016355) is N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide is NCCNC(=O)COc1ccc(C2=NNC(=O)CC2)cc1Cl.
What is the InChIKey of N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide?
The InChIKey is OBCUMABHBVGWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O3/c15-10-7-9(11-2-4-13(20)19-18-11)1-3-12(10)22-8-14(21)17-6-5-16/h1,3,7H,2,4-6,8,16H2,(H,17,21)(H,19,20).
What are the key properties of N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide?
N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide has a molecular weight of 324.77 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide is sourced from PubChem (CID 15016355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).