1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide

C26H30N4O3 — CID 174345211

IUPAC1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(c1ccc(N2CCC(C(=O)Nc3ccc(OC)cc3)C2)cc1)c1ccc(O)c(C)n1
InChIInChI=1S/C26H30N4O3/c1-4-30(25-14-13-24(31)18(2)27-25)22-9-7-21(8-10-22)29-16-15-19(17-29)26(32)28-20-5-11-23(33-3)12-6-20/h5-14,19,31H,4,15-17H2,1-3H3,(H,28,32)
InChIKeyPLURUZGYHNMHLS-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.73
Rot. Bonds7

About 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide

1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 174345211) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID174345211
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
SMILESCCN(c1ccc(N2CCC(C(=O)Nc3ccc(OC)cc3)C2)cc1)c1ccc(O)c(C)n1
InChIInChI=1S/C26H30N4O3/c1-4-30(25-14-13-24(31)18(2)27-25)22-9-7-21(8-10-22)29-16-15-19(17-29)26(32)28-20-5-11-23(33-3)12-6-20/h5-14,19,31H,4,15-17H2,1-3H3,(H,28,32)
InChIKeyPLURUZGYHNMHLS-UHFFFAOYSA-N
XLogP4.73
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide 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

(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-methoxyphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203894
1-[4-(butanoylamino)-1-(4-methoxyphenyl)-3-methylpyrazol-5-yl]piperidine-4-carboxylic acid
CID 53213874
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
1-[1-(3-chloro-4-methylphenyl)-6-oxopyridazin-3-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 53071190
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
N-[4-(dimethylamino)phenyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519788
1-(4-hydroxy-3-methoxyphenyl)-N-[4-[4-(pentafluoro-λ6-sulfanyl)phenoxy]phenyl]piperidine-3-carboxamide
CID 170345295

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide (CID 174345211) is 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide is CCN(c1ccc(N2CCC(C(=O)Nc3ccc(OC)cc3)C2)cc1)c1ccc(O)c(C)n1.
What is the InChIKey of 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is PLURUZGYHNMHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-4-30(25-14-13-24(31)18(2)27-25)22-9-7-21(8-10-22)29-16-15-19(17-29)26(32)28-20-5-11-23(33-3)12-6-20/h5-14,19,31H,4,15-17H2,1-3H3,(H,28,32).
What are the key properties of 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide?
1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl-(5-hydroxy-6-methyl-2-pyridinyl)amino]phenyl]-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 174345211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).