N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

C26H24FN5O4 — CID 156906620

IUPACN-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cn1
InChIInChI=1S/C26H24FN5O4/c1-2-36-23-9-8-21(15-30-23)32(26(34)22-16-35-17-31-22)24(19-6-4-11-28-14-19)25(33)29-12-10-18-5-3-7-20(27)13-18/h3-9,11,13-17,24H,2,10,12H2,1H3,(H,29,33)
InChIKeyGDHOHDOJPGBVKF-UHFFFAOYSA-N
MW489.51 g/mol
LogP3.75
Rot. Bonds10

About N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide

N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906620) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
PubChem CID156906620
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC NameN-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide
SMILESCCOc1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cn1
InChIInChI=1S/C26H24FN5O4/c1-2-36-23-9-8-21(15-30-23)32(26(34)22-16-35-17-31-22)24(19-6-4-11-28-14-19)25(33)29-12-10-18-5-3-7-20(27)13-18/h3-9,11,13-17,24H,2,10,12H2,1H3,(H,29,33)
InChIKeyGDHOHDOJPGBVKF-UHFFFAOYSA-N
XLogP3.75
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide (CID 156906620) is N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide is CCOc1ccc(N(C(=O)c2cocn2)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]-1,3-oxazole-4-carboxamide?
The InChIKey is GDHOHDOJPGBVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-2-36-23-9-8-21(15-30-23)32(26(34)22-16-35-17-31-22)24(19-6-4-11-28-14-19)25(33)29-12-10-18-5-3-7-20(27)13-18/h3-9,11,13-17,24H,2,10,12H2,1H3,(H,29,33).
What are the key properties of N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide?
N-(6-ethoxy-3-pyridinyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 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]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).