N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

C24H25FN4O — CID 53181278

IUPACN-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C24H25FN4O/c1-17-4-2-3-5-18(17)14-26-22-12-13-29(16-22)23-11-6-19(15-27-23)24(30)28-21-9-7-20(25)8-10-21/h2-11,15,22,26H,12-14,16H2,1H3,(H,28,30)
InChIKeyABXJDKOPZRUSGL-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.15
Rot. Bonds6

About N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 53181278) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID53181278
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC NameN-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccccc1CNC1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1
InChIInChI=1S/C24H25FN4O/c1-17-4-2-3-5-18(17)14-26-22-12-13-29(16-22)23-11-6-19(15-27-23)24(30)28-21-9-7-20(25)8-10-21/h2-11,15,22,26H,12-14,16H2,1H3,(H,28,30)
InChIKeyABXJDKOPZRUSGL-UHFFFAOYSA-N
XLogP4.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 53181278) is N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is Cc1ccccc1CNC1CCN(c2ccc(C(=O)Nc3ccc(F)cc3)cn2)C1.
What is the InChIKey of N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ABXJDKOPZRUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-17-4-2-3-5-18(17)14-26-22-12-13-29(16-22)23-11-6-19(15-27-23)24(30)28-21-9-7-20(25)8-10-21/h2-11,15,22,26H,12-14,16H2,1H3,(H,28,30).
What are the key properties of N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-[3-[(2-methylphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 53181278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).