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'}

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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).