methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate

C28H35N3O5 — CID 174461803

IUPACmethyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate
SMILESCCC1CC(C=O)N(Cc2cccc(NC(=O)OC)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C28H35N3O5/c1-4-20-15-23(18-32)31(17-19-8-7-9-22(14-19)29-28(33)35-3)30-27(20)21-12-13-25(34-2)26(16-21)36-24-10-5-6-11-24/h7-9,12-14,16,18,20,23-24H,4-6,10-11,15,17H2,1-3H3,(H,29,33)
InChIKeyGEFWGPKJMBSRTF-UHFFFAOYSA-N
MW493.60 g/mol
LogP5.40
Rot. Bonds9

About methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate

methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate (PubChem CID 174461803) has the molecular formula C28H35N3O5 and a molecular weight of 493.60 g/mol. Its IUPAC name is methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate
PubChem CID174461803
Molecular FormulaC28H35N3O5
Molecular Weight493.60 g/mol
Exact Mass493.26
IUPAC Namemethyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate
SMILESCCC1CC(C=O)N(Cc2cccc(NC(=O)OC)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C28H35N3O5/c1-4-20-15-23(18-32)31(17-19-8-7-9-22(14-19)29-28(33)35-3)30-27(20)21-12-13-25(34-2)26(16-21)36-24-10-5-6-11-24/h7-9,12-14,16,18,20,23-24H,4-6,10-11,15,17H2,1-3H3,(H,29,33)
InChIKeyGEFWGPKJMBSRTF-UHFFFAOYSA-N
XLogP5.40
TPSA89.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.60
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[(5R)-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 174474431
N-[4-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 174367871
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623609
N-[3-[[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2,2,3,3,3-pentafluoropropanamide;2,2,3,3,3-pentafluoropropanoyl chloride
CID 158299520
2-[amino-[4-(2-methylpropanoyl)phenyl]methyl]-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-4,5-dihydro-3H-pyridazine-3-carbaldehyde
CID 174377130
2-[amino-[4-(pyridine-3-carbonyl)phenyl]methyl]-6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-4,5-dihydro-3H-pyridazine-3-carbaldehyde
CID 174395656
N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
N-[3-[[3-(3,4-dimethoxyphenyl)-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]-2-methylpropanamide
CID 18623569
N-[4-[[5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-2-formyl-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]thiophene-2-carboxamide
CID 174474495
6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-2-[(3-nitrophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 18623347
N-[4-[[(6R)-5-(3-cyclopentyloxy-4-methoxyphenyl)-6-ethyl-2-formyl-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 174461928
N-[4-[[(5R)-5-ethyl-3-formyl-6-(3-hydroxy-4-methoxyphenyl)-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
CID 174461777

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate (CID 174461803) is methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate is CCC1CC(C=O)N(Cc2cccc(NC(=O)OC)c2)N=C1c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate?
The InChIKey is GEFWGPKJMBSRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5/c1-4-20-15-23(18-32)31(17-19-8-7-9-22(14-19)29-28(33)35-3)30-27(20)21-12-13-25(34-2)26(16-21)36-24-10-5-6-11-24/h7-9,12-14,16,18,20,23-24H,4-6,10-11,15,17H2,1-3H3,(H,29,33).
What are the key properties of methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate?
methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate has a molecular weight of 493.60 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[6-(3-cyclopentyloxy-4-methoxyphenyl)-5-ethyl-3-formyl-4,5-dihydro-3H-pyridazin-2-yl]methyl]phenyl]carbamate is sourced from PubChem (CID 174461803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).