N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide

C13H12FN3O2 — CID 136666389

IUPACN-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)5-6-15-13(19)11-7-12(18)17-8-16-11/h1-4,7-8H,5-6H2,(H,15,19)(H,16,17,18)
InChIKeyIJHZUDGTFMVBLE-UHFFFAOYSA-N
MW261.26 g/mol
LogP0.88
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136666389) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136666389
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1cc(=O)[nH]cn1
InChIInChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)5-6-15-13(19)11-7-12(18)17-8-16-11/h1-4,7-8H,5-6H2,(H,15,19)(H,16,17,18)
InChIKeyIJHZUDGTFMVBLE-UHFFFAOYSA-N
XLogP0.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyrimidine-4-carboxamide
CID 91628554
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-bromo-N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 53362040
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
N-[2-(4-fluorophenyl)ethyl]-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109338676
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 136666389) is N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NCCc1ccc(F)cc1)c1cc(=O)[nH]cn1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is IJHZUDGTFMVBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-10-3-1-9(2-4-10)5-6-15-13(19)11-7-12(18)17-8-16-11/h1-4,7-8H,5-6H2,(H,15,19)(H,16,17,18).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136666389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).