N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

C23H23FN4O2 — CID 53181306

IUPACN-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CCC(NCc3ccccc3O)C2)nc1
InChIInChI=1S/C23H23FN4O2/c24-18-5-3-6-19(12-18)27-23(30)17-8-9-22(26-14-17)28-11-10-20(15-28)25-13-16-4-1-2-7-21(16)29/h1-9,12,14,20,25,29H,10-11,13,15H2,(H,27,30)
InChIKeyTUGGIULIOBADBN-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.55
Rot. Bonds6

About N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 53181306) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID53181306
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(N2CCC(NCc3ccccc3O)C2)nc1
InChIInChI=1S/C23H23FN4O2/c24-18-5-3-6-19(12-18)27-23(30)17-8-9-22(26-14-17)28-11-10-20(15-28)25-13-16-4-1-2-7-21(16)29/h1-9,12,14,20,25,29H,10-11,13,15H2,(H,27,30)
InChIKeyTUGGIULIOBADBN-UHFFFAOYSA-N
XLogP3.55
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 53181306) is N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(N2CCC(NCc3ccccc3O)C2)nc1.
What is the InChIKey of N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is TUGGIULIOBADBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-18-5-3-6-19(12-18)27-23(30)17-8-9-22(26-14-17)28-11-10-20(15-28)25-13-16-4-1-2-7-21(16)29/h1-9,12,14,20,25,29H,10-11,13,15H2,(H,27,30).
What are the key properties of N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-[3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53181306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).