propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C25H32N2O4 — CID 143312591

IUPACpropyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2cc(C)ccc2N)=CC1c1ccc(OCCOC)cc1
InChIInChI=1S/C25H32N2O4/c1-4-13-31-25(28)27-12-11-20(22-16-18(2)5-10-23(22)26)17-24(27)19-6-8-21(9-7-19)30-15-14-29-3/h5-10,16-17,24H,4,11-15,26H2,1-3H3
InChIKeyFINIGANGQMSXDK-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.98
Rot. Bonds8

About propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 143312591) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID143312591
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Namepropyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2cc(C)ccc2N)=CC1c1ccc(OCCOC)cc1
InChIInChI=1S/C25H32N2O4/c1-4-13-31-25(28)27-12-11-20(22-16-18(2)5-10-23(22)26)17-24(27)19-6-8-21(9-7-19)30-15-14-29-3/h5-10,16-17,24H,4,11-15,26H2,1-3H3
InChIKeyFINIGANGQMSXDK-UHFFFAOYSA-N
XLogP4.98
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[amino(methyl)amino]-5-chlorophenyl]-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 143111247
4-(2-amino-5-chlorophenyl)-6-[4-[3-(dimethylamino)propoxy]phenyl]-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 143111655
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[4-[2-(2-methoxyethoxy)ethoxy]phenoxy]ethoxy]-5-methylphenyl]-4-methylbenzene
CID 146179403
2-amino-5-propoxybenzoic acid
CID 12719187
2-methoxyethyl 4-propyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
CID 70119308
5-methyl-2-(4-propoxyphenoxy)aniline
CID 43168923
propyl 6-chloro-1-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 75288820
2,2-diethyl-3-[4-(2-methoxyethoxy)phenyl]cyclobutan-1-ol
CID 81415983
CID 86754163
CID 86754163
1-N,3-N-bis(2,4-dimethylphenyl)-4-hydroxy-4-methyl-6-oxo-2-(4-propoxyphenyl)cyclohexane-1,3-dicarboxamide
CID 19224948
1-(2-amino-5-propoxyphenyl)butan-1-one
CID 112541199

Frequently Asked Questions

What is the IUPAC name of propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 143312591) is propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is CCCOC(=O)N1CCC(c2cc(C)ccc2N)=CC1c1ccc(OCCOC)cc1.
What is the InChIKey of propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FINIGANGQMSXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-13-31-25(28)27-12-11-20(22-16-18(2)5-10-23(22)26)17-24(27)19-6-8-21(9-7-19)30-15-14-29-3/h5-10,16-17,24H,4,11-15,26H2,1-3H3.
What are the key properties of propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 424.54 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(2-amino-5-methylphenyl)-6-[4-(2-methoxyethoxy)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 143312591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).