N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

C26H24FN5O2 — CID 156906831

IUPACN-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cnc[nH]1
InChIInChI=1S/C26H24FN5O2/c27-22-10-4-8-19(14-22)11-13-30-25(33)24(21-9-5-12-28-15-21)32(17-20-6-2-1-3-7-20)26(34)23-16-29-18-31-23/h1-10,12,14-16,18,24H,11,13,17H2,(H,29,31)(H,30,33)
InChIKeyPDLWBYFTABKGPU-UHFFFAOYSA-N
MW457.51 g/mol
LogP3.69
Rot. Bonds9

About N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (PubChem CID 156906831) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
PubChem CID156906831
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC NameN-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cnc[nH]1
InChIInChI=1S/C26H24FN5O2/c27-22-10-4-8-19(14-22)11-13-30-25(33)24(21-9-5-12-28-15-21)32(17-20-6-2-1-3-7-20)26(34)23-16-29-18-31-23/h1-10,12,14-16,18,24H,11,13,17H2,(H,29,31)(H,30,33)
InChIKeyPDLWBYFTABKGPU-UHFFFAOYSA-N
XLogP3.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (CID 156906831) is N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is O=C(NCCc1cccc(F)c1)C(c1cccnc1)N(Cc1ccccc1)C(=O)c1cnc[nH]1.
What is the InChIKey of N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The InChIKey is PDLWBYFTABKGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O2/c27-22-10-4-8-19(14-22)11-13-30-25(33)24(21-9-5-12-28-15-21)32(17-20-6-2-1-3-7-20)26(34)23-16-29-18-31-23/h1-10,12,14-16,18,24H,11,13,17H2,(H,29,31)(H,30,33).
What are the key properties of N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156906831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).