N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide

C26H32N4O2 — CID 144913737

IUPACN,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCCC(COc1ccccn1)C(CC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1
InChIInChI=1S/C26H32N4O2/c1-5-10-20(18-32-24-11-7-8-14-27-24)23(6-2)30(4)26(31)22-17-19(3)12-13-21(22)25-28-15-9-16-29-25/h7-9,11-17,20,23H,5-6,10,18H2,1-4H3
InChIKeyWBIDDTXDNONKLJ-UHFFFAOYSA-N
MW432.57 g/mol
LogP5.19
Rot. Bonds10

About N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide

N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide (PubChem CID 144913737) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide
PubChem CID144913737
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCCC(COc1ccccn1)C(CC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1
InChIInChI=1S/C26H32N4O2/c1-5-10-20(18-32-24-11-7-8-14-27-24)23(6-2)30(4)26(31)22-17-19(3)12-13-21(22)25-28-15-9-16-29-25/h7-9,11-17,20,23H,5-6,10,18H2,1-4H3
InChIKeyWBIDDTXDNONKLJ-UHFFFAOYSA-N
XLogP5.19
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
CID 144913789
5-methyl-N-[(2S)-2-(pyridin-2-yloxymethyl)heptyl]-2-pyrimidin-2-ylbenzamide
CID 130329592
N-(5,5-dimethylnonan-4-yl)-N,5-dimethyl-2-pyrimidin-2-ylbenzamide;5-fluoro-2-methoxypyridine
CID 144913788
N-[(2R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]pentyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 143898587
N-[2-[(5-fluoro-2-pyridinyl)oxymethyl]heptyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 130329578
4-(2,5-dimethylphenyl)-N-(2-methoxy-1-pyridin-2-ylethyl)-N-methylbenzamide
CID 119066040
N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137244
N,N-dimethyl-4-(pyridin-2-yloxymethyl)benzamide
CID 75402934
2-pyridin-2-yloxypentanoic acid
CID 69474855
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
2-bromo-5-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974171

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide (CID 144913737) is N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide is CCCC(COc1ccccn1)C(CC)N(C)C(=O)c1cc(C)ccc1-c1ncccn1.
What is the InChIKey of N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide?
The InChIKey is WBIDDTXDNONKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-10-20(18-32-24-11-7-8-14-27-24)23(6-2)30(4)26(31)22-17-19(3)12-13-21(22)25-28-15-9-16-29-25/h7-9,11-17,20,23H,5-6,10,18H2,1-4H3.
What are the key properties of N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide?
N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide has a molecular weight of 432.57 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[4-(pyridin-2-yloxymethyl)heptan-3-yl]-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 144913737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).