N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide

C25H29FN4O2 — CID 130329578

IUPACN-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCCCCC(CNC(=O)c1cc(C)ccc1-c1ncccn1)COc1ccc(F)cn1
InChIInChI=1S/C25H29FN4O2/c1-3-4-5-7-19(17-32-23-11-9-20(26)16-29-23)15-30-25(31)22-14-18(2)8-10-21(22)24-27-12-6-13-28-24/h6,8-14,16,19H,3-5,7,15,17H2,1-2H3,(H,30,31)
InChIKeyLEZKJTUCVYAJNF-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.99
Rot. Bonds11

About N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide

N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide (PubChem CID 130329578) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide
PubChem CID130329578
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCCCCC(CNC(=O)c1cc(C)ccc1-c1ncccn1)COc1ccc(F)cn1
InChIInChI=1S/C25H29FN4O2/c1-3-4-5-7-19(17-32-23-11-9-20(26)16-29-23)15-30-25(31)22-14-18(2)8-10-21(22)24-27-12-6-13-28-24/h6,8-14,16,19H,3-5,7,15,17H2,1-2H3,(H,30,31)
InChIKeyLEZKJTUCVYAJNF-UHFFFAOYSA-N
XLogP4.99
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 143898587
5-methyl-N-[(2S)-2-(pyridin-2-yloxymethyl)heptyl]-2-pyrimidin-2-ylbenzamide
CID 130329592
N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-pyrimidin-2-ylbenzamide
CID 135127661
N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine
CID 144913788
N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide
CID 144913737
N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137244
N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide
CID 144913789
[(3R)-2-ethyl-3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 130329590
2-bromo-N-(2-ethylhexyl)-5-methylbenzamide
CID 81109580
benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate
CID 129095932
[(1S)-4-[(dimethyl-λ3-iodanyl)methyl]-1-[(5-fluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 145260083
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide (CID 130329578) is N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide is CCCCCC(CNC(=O)c1cc(C)ccc1-c1ncccn1)COc1ccc(F)cn1.
What is the InChIKey of N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is LEZKJTUCVYAJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-3-4-5-7-19(17-32-23-11-9-20(26)16-29-23)15-30-25(31)22-14-18(2)8-10-21(22)24-27-12-6-13-28-24/h6,8-14,16,19H,3-5,7,15,17H2,1-2H3,(H,30,31).
What are the key properties of N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 436.53 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 130329578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).