N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

C23H34N4O3 — CID 92715204

IUPACN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O
InChIInChI=1S/C23H34N4O3/c1-3-19-7-4-5-15-26(19)16-6-14-24-22(28)17-27-23(29)13-12-21(25-27)18-8-10-20(30-2)11-9-18/h8-11,19H,3-7,12-17H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyKNWMAKDGBIEFED-LJQANCHMSA-N
MW414.55 g/mol
LogP2.79
Rot. Bonds9

About N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (PubChem CID 92715204) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
PubChem CID92715204
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O
InChIInChI=1S/C23H34N4O3/c1-3-19-7-4-5-15-26(19)16-6-14-24-22(28)17-27-23(29)13-12-21(25-27)18-8-10-20(30-2)11-9-18/h8-11,19H,3-7,12-17H2,1-2H3,(H,24,28)/t19-/m1/s1
InChIKeyKNWMAKDGBIEFED-LJQANCHMSA-N
XLogP2.79
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968523
N-[2-(dimethylamino)ethyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15998522
N-cyclopropyl-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15996433
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968351
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 92696574
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(N-methylanilino)propyl]propanamide
CID 46373785
(3R)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 92886568
(3R)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 92886567

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The IUPAC name of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide (CID 92715204) is N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The canonical SMILES for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is CC[C@@H]1CCCCN1CCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O.
What is the InChIKey of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
The InChIKey is KNWMAKDGBIEFED-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-3-19-7-4-5-15-26(19)16-6-14-24-22(28)17-27-23(29)13-12-21(25-27)18-8-10-20(30-2)11-9-18/h8-11,19H,3-7,12-17H2,1-2H3,(H,24,28)/t19-/m1/s1.
What are the key properties of N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide?
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide is sourced from PubChem (CID 92715204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).