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

C25H28FN5O3 — CID 156906617

IUPACN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCCC(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)C1
InChIInChI=1S/C25H28FN5O3/c1-30-12-4-8-21(15-30)31(25(33)22-16-34-17-29-22)23(19-6-3-10-27-14-19)24(32)28-11-9-18-5-2-7-20(26)13-18/h2-3,5-7,10,13-14,16-17,21,23H,4,8-9,11-12,15H2,1H3,(H,28,32)
InChIKeyTUIYZJOPARQXJN-UHFFFAOYSA-N
MW465.53 g/mol
LogP2.85
Rot. Bonds8

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

N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 156906617) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID156906617
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC NameN-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCCC(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)C1
InChIInChI=1S/C25H28FN5O3/c1-30-12-4-8-21(15-30)31(25(33)22-16-34-17-29-22)23(19-6-3-10-27-14-19)24(32)28-11-9-18-5-2-7-20(26)13-18/h2-3,5-7,10,13-14,16-17,21,23H,4,8-9,11-12,15H2,1H3,(H,28,32)
InChIKeyTUIYZJOPARQXJN-UHFFFAOYSA-N
XLogP2.85
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide (CID 156906617) is N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide is CN1CCCC(N(C(=O)c2cocn2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)C1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is TUIYZJOPARQXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-30-12-4-8-21(15-30)31(25(33)22-16-34-17-29-22)23(19-6-3-10-27-14-19)24(32)28-11-9-18-5-2-7-20(26)13-18/h2-3,5-7,10,13-14,16-17,21,23H,4,8-9,11-12,15H2,1H3,(H,28,32).
What are the key properties of N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide?
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-N-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 465.53 g/mol, XLogP of 2.85, 8 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-(1-methylpiperidin-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156906617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).