N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

C25H21F2N5O3 — CID 69332574

IUPACN-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNCCNc1cnccc1Oc1ccc(N(C(=O)c2ccc[nH]c2=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C25H21F2N5O3/c26-16-3-5-17(6-4-16)32(25(34)19-2-1-11-31-24(19)33)18-7-8-22(20(27)14-18)35-23-9-12-29-15-21(23)30-13-10-28/h1-9,11-12,14-15,30H,10,13,28H2,(H,31,33)
InChIKeyUDNLXVPZRRGHMV-UHFFFAOYSA-N
MW477.47 g/mol
LogP4.19
Rot. Bonds8

About N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide

N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 69332574) has the molecular formula C25H21F2N5O3 and a molecular weight of 477.47 g/mol. Its IUPAC name is N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID69332574
Molecular FormulaC25H21F2N5O3
Molecular Weight477.47 g/mol
Exact Mass477.16
IUPAC NameN-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESNCCNc1cnccc1Oc1ccc(N(C(=O)c2ccc[nH]c2=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C25H21F2N5O3/c26-16-3-5-17(6-4-16)32(25(34)19-2-1-11-31-24(19)33)18-7-8-22(20(27)14-18)35-23-9-12-29-15-21(23)30-13-10-28/h1-9,11-12,14-15,30H,10,13,28H2,(H,31,33)
InChIKeyUDNLXVPZRRGHMV-UHFFFAOYSA-N
XLogP4.19
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.47
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-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-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 69332574) is N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is NCCNc1cnccc1Oc1ccc(N(C(=O)c2ccc[nH]c2=O)c2ccc(F)cc2)cc1F.
What is the InChIKey of N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is UDNLXVPZRRGHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O3/c26-16-3-5-17(6-4-16)32(25(34)19-2-1-11-31-24(19)33)18-7-8-22(20(27)14-18)35-23-9-12-29-15-21(23)30-13-10-28/h1-9,11-12,14-15,30H,10,13,28H2,(H,31,33).
What are the key properties of N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 477.47 g/mol, XLogP of 4.19, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2-aminoethylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-N-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 69332574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).