N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

C26H25FN6O3 — CID 156906841

IUPACN-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESCCOc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cn1
InChIInChI=1S/C26H25FN6O3/c1-2-36-23-9-8-21(15-31-23)33(26(35)22-16-29-17-32-22)24(19-6-4-11-28-14-19)25(34)30-12-10-18-5-3-7-20(27)13-18/h3-9,11,13-17,24H,2,10,12H2,1H3,(H,29,32)(H,30,34)
InChIKeyUNJJHRPASDOHFO-UHFFFAOYSA-N
MW488.52 g/mol
LogP3.48
Rot. Bonds10

About N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide

N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (PubChem CID 156906841) has the molecular formula C26H25FN6O3 and a molecular weight of 488.52 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
PubChem CID156906841
Molecular FormulaC26H25FN6O3
Molecular Weight488.52 g/mol
Exact Mass488.20
IUPAC NameN-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide
SMILESCCOc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cn1
InChIInChI=1S/C26H25FN6O3/c1-2-36-23-9-8-21(15-31-23)33(26(35)22-16-29-17-32-22)24(19-6-4-11-28-14-19)25(34)30-12-10-18-5-3-7-20(27)13-18/h3-9,11,13-17,24H,2,10,12H2,1H3,(H,29,32)(H,30,34)
InChIKeyUNJJHRPASDOHFO-UHFFFAOYSA-N
XLogP3.48
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide (CID 156906841) is N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is CCOc1ccc(N(C(=O)c2cnc[nH]2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cn1.
What is the InChIKey of N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
The InChIKey is UNJJHRPASDOHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O3/c1-2-36-23-9-8-21(15-31-23)33(26(35)22-16-29-17-32-22)24(19-6-4-11-28-14-19)25(34)30-12-10-18-5-3-7-20(27)13-18/h3-9,11,13-17,24H,2,10,12H2,1H3,(H,29,32)(H,30,34).
What are the key properties of N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide?
N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide has a molecular weight of 488.52 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 156906841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).