N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

C23H22N2O5 — CID 25066423

IUPACN-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2cc(-c3ccccn3)ccc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C23H22N2O5/c1-14(26)25-19-9-8-15(18-7-5-6-10-24-18)11-17(19)22(27)16-12-20(28-2)23(30-4)21(13-16)29-3/h5-13H,1-4H3,(H,25,26)
InChIKeyNLNWIMZRHJGNLY-UHFFFAOYSA-N
MW406.44 g/mol
LogP3.96
Rot. Bonds7

About N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide

N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (PubChem CID 25066423) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
PubChem CID25066423
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC NameN-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
SMILESCOc1cc(C(=O)c2cc(-c3ccccn3)ccc2NC(C)=O)cc(OC)c1OC
InChIInChI=1S/C23H22N2O5/c1-14(26)25-19-9-8-15(18-7-5-6-10-24-18)11-17(19)22(27)16-12-20(28-2)23(30-4)21(13-16)29-3/h5-13H,1-4H3,(H,25,26)
InChIKeyNLNWIMZRHJGNLY-UHFFFAOYSA-N
XLogP3.96
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25067024
formaldehyde;N-[4-formyl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 87613103
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
CID 3984738
tert-butyl N-[2-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19876877
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
N-[4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]methanesulfonamide
CID 25067022
[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 91140675
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
2-[2-(3-hydroxypropylamino)-5-pyridin-2-ylphenyl]-3,4,5-trimethoxybenzaldehyde
CID 87226299
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
N-[5-[3-(1,2,4-triazol-1-yl)phenyl]-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 66987753
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875

Frequently Asked Questions

What is the IUPAC name of N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The IUPAC name of N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide (CID 25066423) is N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide.
What is the SMILES notation for N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The canonical SMILES for N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is COc1cc(C(=O)c2cc(-c3ccccn3)ccc2NC(C)=O)cc(OC)c1OC.
What is the InChIKey of N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
The InChIKey is NLNWIMZRHJGNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-14(26)25-19-9-8-15(18-7-5-6-10-24-18)11-17(19)22(27)16-12-20(28-2)23(30-4)21(13-16)29-3/h5-13H,1-4H3,(H,25,26).
What are the key properties of N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide?
N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide has a molecular weight of 406.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide is sourced from PubChem (CID 25066423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).