N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide

C28H24FN7O3 — CID 156906386

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cnnn1-c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H24FN7O3/c1-19-15-33-34-36(19)24-9-7-23(8-10-24)35(28(38)25-17-39-18-32-25)26(21-5-3-12-30-16-21)27(37)31-13-11-20-4-2-6-22(29)14-20/h2-10,12,14-18,26H,11,13H2,1H3,(H,31,37)
InChIKeySXTGLRCYPWOPRX-UHFFFAOYSA-N
MW525.54 g/mol
LogP3.84
Rot. Bonds9

About N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906386) has the molecular formula C28H24FN7O3 and a molecular weight of 525.54 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID156906386
Molecular FormulaC28H24FN7O3
Molecular Weight525.54 g/mol
Exact Mass525.19
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCc1cnnn1-c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C28H24FN7O3/c1-19-15-33-34-36(19)24-9-7-23(8-10-24)35(28(38)25-17-39-18-32-25)26(21-5-3-12-30-16-21)27(37)31-13-11-20-4-2-6-22(29)14-20/h2-10,12,14-18,26H,11,13H2,1H3,(H,31,37)
InChIKeySXTGLRCYPWOPRX-UHFFFAOYSA-N
XLogP3.84
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 156906386) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide is Cc1cnnn1-c1ccc(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SXTGLRCYPWOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O3/c1-19-15-33-34-36(19)24-9-7-23(8-10-24)35(28(38)25-17-39-18-32-25)26(21-5-3-12-30-16-21)27(37)31-13-11-20-4-2-6-22(29)14-20/h2-10,12,14-18,26H,11,13H2,1H3,(H,31,37).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 525.54 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 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-[4-(5-methyltriazol-1-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).