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

C28H28FN5O2 — CID 156906812

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide
SMILESCc1ccccc1C(C)N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C28H28FN5O2/c1-19-7-3-4-11-24(19)20(2)34(28(36)25-17-31-18-33-25)26(22-9-6-13-30-16-22)27(35)32-14-12-21-8-5-10-23(29)15-21/h3-11,13,15-18,20,26H,12,14H2,1-2H3,(H,31,33)(H,32,35)
InChIKeyURSVGBXFSJFQJT-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.56
Rot. Bonds9

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 156906812) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID156906812
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide
SMILESCc1ccccc1C(C)N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C28H28FN5O2/c1-19-7-3-4-11-24(19)20(2)34(28(36)25-17-31-18-33-25)26(22-9-6-13-30-16-22)27(35)32-14-12-21-8-5-10-23(29)15-21/h3-11,13,15-18,20,26H,12,14H2,1-2H3,(H,31,33)(H,32,35)
InChIKeyURSVGBXFSJFQJT-UHFFFAOYSA-N
XLogP4.56
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide (CID 156906812) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide is Cc1ccccc1C(C)N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is URSVGBXFSJFQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-19-7-3-4-11-24(19)20(2)34(28(36)25-17-31-18-33-25)26(22-9-6-13-30-16-22)27(35)32-14-12-21-8-5-10-23(29)15-21/h3-11,13,15-18,20,26H,12,14H2,1-2H3,(H,31,33)(H,32,35).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[1-(2-methylphenyl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156906812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).