3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide

C21H29N3O3 — CID 24792841

IUPAC3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NC3CCC(C)CC3)C(=O)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-15-3-7-17(8-4-15)22-20(25)13-14-24-21(26)12-11-19(23-24)16-5-9-18(27-2)10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H,22,25)
InChIKeyNGFMASWTOZBTDD-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.11
Rot. Bonds6

About 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide

3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide (PubChem CID 24792841) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide
PubChem CID24792841
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide
SMILESCOc1ccc(C2=NN(CCC(=O)NC3CCC(C)CC3)C(=O)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-15-3-7-17(8-4-15)22-20(25)13-14-24-21(26)12-11-19(23-24)16-5-9-18(27-2)10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H,22,25)
InChIKeyNGFMASWTOZBTDD-UHFFFAOYSA-N
XLogP3.11
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclohexyl-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 11089927
6-{4-[3-((R)-2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4,5-dihydro-2H-pyridazin-3-one
CID 24994127
(4R)-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 57396087
4-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 57397654
(4S)-3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 57403054
3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE
CID 138454907
3-[5-[(4aR,8aS)-3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl]-2-methoxyphenyl]prop-2-ynamide
CID 138753179
3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-[2-(2-fluorophenyl)ethyl]prop-2-ynamide
CID 138753641
TbrPDEB1 inhibitor NPD-048
CID 138753642
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
CID 11440401
2-allyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475385
N-cyclohexyl-3-(4-methoxyphenyl)propanamide
CID 4590252

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide (CID 24792841) is 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide is COc1ccc(C2=NN(CCC(=O)NC3CCC(C)CC3)C(=O)CC2)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide?
The InChIKey is NGFMASWTOZBTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-3-7-17(8-4-15)22-20(25)13-14-24-21(26)12-11-19(23-24)16-5-9-18(27-2)10-6-16/h5-6,9-10,15,17H,3-4,7-8,11-14H2,1-2H3,(H,22,25).
What are the key properties of 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide?
3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 24792841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).