N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

C24H25FN4O2 — CID 53181302

IUPACN-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1
InChIInChI=1S/C24H25FN4O2/c1-31-22-9-2-17(3-10-22)14-26-21-12-13-29(16-21)23-11-4-18(15-27-23)24(30)28-20-7-5-19(25)6-8-20/h2-11,15,21,26H,12-14,16H2,1H3,(H,28,30)
InChIKeyUMZDBIHBAWNKRN-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.85
Rot. Bonds7

About N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 53181302) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID53181302
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1
InChIInChI=1S/C24H25FN4O2/c1-31-22-9-2-17(3-10-22)14-26-21-12-13-29(16-21)23-11-4-18(15-27-23)24(30)28-20-7-5-19(25)6-8-20/h2-11,15,21,26H,12-14,16H2,1H3,(H,28,30)
InChIKeyUMZDBIHBAWNKRN-UHFFFAOYSA-N
XLogP3.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 53181302) is N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is COc1ccc(CNC2CCN(c3ccc(C(=O)Nc4ccc(F)cc4)cn3)C2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is UMZDBIHBAWNKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-31-22-9-2-17(3-10-22)14-26-21-12-13-29(16-21)23-11-4-18(15-27-23)24(30)28-20-7-5-19(25)6-8-20/h2-11,15,21,26H,12-14,16H2,1H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53181302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).