N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide

C22H23N3O2 — CID 53021376

IUPACN-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCCCCCNC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C22H23N3O2/c1-2-3-7-13-23-22(26)18-11-8-12-19(14-18)27-21-15-20(24-16-25-21)17-9-5-4-6-10-17/h4-6,8-12,14-16H,2-3,7,13H2,1H3,(H,23,26)
InChIKeyLKFYQLVBLQBHKX-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.86
Rot. Bonds8

About N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide

N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide (PubChem CID 53021376) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
PubChem CID53021376
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCCCCCNC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1
InChIInChI=1S/C22H23N3O2/c1-2-3-7-13-23-22(26)18-11-8-12-19(14-18)27-21-15-20(24-16-25-21)17-9-5-4-6-10-17/h4-6,8-12,14-16H,2-3,7,13H2,1H3,(H,23,26)
InChIKeyLKFYQLVBLQBHKX-UHFFFAOYSA-N
XLogP4.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
N-hexyl-3-pyridin-2-yloxybenzamide
CID 90596510
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011541
N-(3-methylbutyl)-4-(6-phenoxypyrimidin-4-yl)benzamide
CID 53021164
3-(6-phenylpyrimidin-4-yl)oxy-N-(4-propan-2-ylphenyl)benzamide
CID 53119921
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-methoxy-N-tridecylbenzamide
CID 139819898

Frequently Asked Questions

What is the IUPAC name of N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide (CID 53021376) is N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide is CCCCCNC(=O)c1cccc(Oc2cc(-c3ccccc3)ncn2)c1.
What is the InChIKey of N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The InChIKey is LKFYQLVBLQBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-3-7-13-23-22(26)18-11-8-12-19(14-18)27-21-15-20(24-16-25-21)17-9-5-4-6-10-17/h4-6,8-12,14-16H,2-3,7,13H2,1H3,(H,23,26).
What are the key properties of N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 53021376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).