N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide

C28H24N2O4 — CID 142197494

IUPACN-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C28H24N2O4/c1-20(31)23-12-13-27(29-17-23)30-28(32)24-14-25(33-18-21-8-4-2-5-9-21)16-26(15-24)34-19-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3,(H,29,30,32)
InChIKeyXFKYKYAUULKIML-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.69
Rot. Bonds9

About N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide

N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide (PubChem CID 142197494) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
PubChem CID142197494
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC NameN-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1
InChIInChI=1S/C28H24N2O4/c1-20(31)23-12-13-27(29-17-23)30-28(32)24-14-25(33-18-21-8-4-2-5-9-21)16-26(15-24)34-19-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3,(H,29,30,32)
InChIKeyXFKYKYAUULKIML-UHFFFAOYSA-N
XLogP5.69
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-butan-2-yl]oxy-N-(5-methylpyrazin-2-yl)-5-phenylmethoxybenzamide
CID 143391703
6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
CID 21074217
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
[1-[3-[(1-methylpyrazol-3-yl)carbamoyl]-5-phenylmethoxyphenoxy]cyclobutyl] formate
CID 89048732
1-N,3-N-bis(3,4-dichlorophenyl)-5-phenylmethoxybenzene-1,3-dicarboxamide
CID 10303103
1-[6-(4-phenylmethoxythiophen-2-yl)-3-pyridinyl]ethanone
CID 174443968
N-(2-hydroxyethyl)-3,5-bis(phenylmethoxy)benzamide
CID 171338561
methyl 6-[(2,2-dimethyl-5-phenylmethoxy-3,4-dihydrochromene-7-carbonyl)amino]pyridine-3-carboxylate
CID 143566090
N-(6-methyl-2-pyridinyl)-4-phenylmethoxybenzamide
CID 35036020
N-(4-acetylphenyl)-N'-(4-phenylmethoxyphenyl)oxamide
CID 108987469
3-(2-hydroxybutan-2-yloxy)-N-(1-methylpyrazol-3-yl)-5-phenylmethoxybenzamide
CID 142694067

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide?
The IUPAC name of N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide (CID 142197494) is N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide is CC(=O)c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1.
What is the InChIKey of N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide?
The InChIKey is XFKYKYAUULKIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4/c1-20(31)23-12-13-27(29-17-23)30-28(32)24-14-25(33-18-21-8-4-2-5-9-21)16-26(15-24)34-19-22-10-6-3-7-11-22/h2-17H,18-19H2,1H3,(H,29,30,32).
What are the key properties of N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide?
N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide has a molecular weight of 452.51 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-pyridinyl)-3,5-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 142197494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).