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

C23H25FN4O2 — CID 143898587

IUPACN-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCC[C@H](CNC(=O)c1cc(C)ccc1-c1ncccn1)COc1ccc(F)cn1
InChIInChI=1S/C23H25FN4O2/c1-3-5-17(15-30-21-9-7-18(24)14-27-21)13-28-23(29)20-12-16(2)6-8-19(20)22-25-10-4-11-26-22/h4,6-12,14,17H,3,5,13,15H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeyCOOYWKAHCAYSGP-QGZVFWFLSA-N
MW408.48 g/mol
LogP4.21
Rot. Bonds9

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

N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide (PubChem CID 143898587) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide
PubChem CID143898587
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide
SMILESCCC[C@H](CNC(=O)c1cc(C)ccc1-c1ncccn1)COc1ccc(F)cn1
InChIInChI=1S/C23H25FN4O2/c1-3-5-17(15-30-21-9-7-18(24)14-27-21)13-28-23(29)20-12-16(2)6-8-19(20)22-25-10-4-11-26-22/h4,6-12,14,17H,3,5,13,15H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeyCOOYWKAHCAYSGP-QGZVFWFLSA-N
XLogP4.21
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 130329578
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
[(3R)-2-ethyl-3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(5-methyl-2-pyrimidin-2-ylphenyl)methanone
CID 130329590
N-[2-(2-hydroxyethyl)pentyl]-2,5-dimethylbenzamide
CID 103725617
N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide
CID 144913789
N-[2-(2-hydroxyethyl)pentyl]-2,4-dimethylbenzamide
CID 103722758
[(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
2-chloro-N-[2-(2-hydroxyethyl)pentyl]-4-methylbenzamide
CID 106509848

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide (CID 143898587) is N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide is CCC[C@H](CNC(=O)c1cc(C)ccc1-c1ncccn1)COc1ccc(F)cn1.
What is the InChIKey of N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
The InChIKey is COOYWKAHCAYSGP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-3-5-17(15-30-21-9-7-18(24)14-27-21)13-28-23(29)20-12-16(2)6-8-19(20)22-25-10-4-11-26-22/h4,6-12,14,17H,3,5,13,15H2,1-2H3,(H,28,29)/t17-/m1/s1.
What are the key properties of N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide?
N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 143898587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).