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

C30H29FN6O4 — CID 156906392

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCCN(c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)C1=O
InChIInChI=1S/C30H29FN6O4/c1-35-15-4-16-36(30(35)40)24-8-10-25(11-9-24)37(29(39)26-19-41-20-34-26)27(22-6-3-13-32-18-22)28(38)33-14-12-21-5-2-7-23(31)17-21/h2-3,5-11,13,17-20,27H,4,12,14-16H2,1H3,(H,33,38)
InChIKeyCVTSVTWEHBDFKW-UHFFFAOYSA-N
MW556.60 g/mol
LogP4.22
Rot. Bonds9

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 156906392) has the molecular formula C30H29FN6O4 and a molecular weight of 556.60 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-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-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID156906392
Molecular FormulaC30H29FN6O4
Molecular Weight556.60 g/mol
Exact Mass556.22
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide
SMILESCN1CCCN(c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)C1=O
InChIInChI=1S/C30H29FN6O4/c1-35-15-4-16-36(30(35)40)24-8-10-25(11-9-24)37(29(39)26-19-41-20-34-26)27(22-6-3-13-32-18-22)28(38)33-14-12-21-5-2-7-23(31)17-21/h2-3,5-11,13,17-20,27H,4,12,14-16H2,1H3,(H,33,38)
InChIKeyCVTSVTWEHBDFKW-UHFFFAOYSA-N
XLogP4.22
TPSA111.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide with MolForge

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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-(3-methyl-2-oxo-1,3-diazinan-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-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide (CID 156906392) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-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-(3-methyl-2-oxo-1,3-diazinan-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-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide is CN1CCCN(c2ccc(N(C(=O)c3cocn3)C(C(=O)NCCc3cccc(F)c3)c3cccnc3)cc2)C1=O.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CVTSVTWEHBDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN6O4/c1-35-15-4-16-36(30(35)40)24-8-10-25(11-9-24)37(29(39)26-19-41-20-34-26)27(22-6-3-13-32-18-22)28(38)33-14-12-21-5-2-7-23(31)17-21/h2-3,5-11,13,17-20,27H,4,12,14-16H2,1H3,(H,33,38).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 556.60 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).