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

C27H26FN5O2 — CID 156906811

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide
SMILESCC(c1ccccc1)N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C27H26FN5O2/c1-19(21-8-3-2-4-9-21)33(27(35)24-17-30-18-32-24)25(22-10-6-13-29-16-22)26(34)31-14-12-20-7-5-11-23(28)15-20/h2-11,13,15-19,25H,12,14H2,1H3,(H,30,32)(H,31,34)
InChIKeyASEOWKCIBCQZRG-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.25
Rot. Bonds9

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide (PubChem CID 156906811) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide
PubChem CID156906811
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide
SMILESCC(c1ccccc1)N(C(=O)c1cnc[nH]1)C(C(=O)NCCc1cccc(F)c1)c1cccnc1
InChIInChI=1S/C27H26FN5O2/c1-19(21-8-3-2-4-9-21)33(27(35)24-17-30-18-32-24)25(22-10-6-13-29-16-22)26(34)31-14-12-20-7-5-11-23(28)15-20/h2-11,13,15-19,25H,12,14H2,1H3,(H,30,32)(H,31,34)
InChIKeyASEOWKCIBCQZRG-UHFFFAOYSA-N
XLogP4.25
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.25
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-phenylethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide (CID 156906811) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide is CC(c1ccccc1)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-phenylethyl)-1H-imidazole-5-carboxamide?
The InChIKey is ASEOWKCIBCQZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-19(21-8-3-2-4-9-21)33(27(35)24-17-30-18-32-24)25(22-10-6-13-29-16-22)26(34)31-14-12-20-7-5-11-23(28)15-20/h2-11,13,15-19,25H,12,14H2,1H3,(H,30,32)(H,31,34).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-phenylethyl)-1H-imidazole-5-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.25, 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-phenylethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156906811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).