N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide

C52H46N4O8 — CID 10557530

IUPACN-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide
SMILESCOCOc1ccc2cc(-c3cccc(NC(C)=O)n3)c(OCc3ccccc3)cc2c1-c1c(OCOC)ccc2cc(-c3cccc(NC(C)=O)n3)c(OCc3ccccc3)cc12
InChIInChI=1S/C52H46N4O8/c1-33(57)53-49-19-11-17-43(55-49)41-25-37-21-23-45(63-31-59-3)51(39(37)27-47(41)61-29-35-13-7-5-8-14-35)52-40-28-48(62-30-36-15-9-6-10-16-36)42(26-38(40)22-24-46(52)64-32-60-4)44-18-12-20-50(56-44)54-34(2)58/h5-28H,29-32H2,1-4H3,(H,53,55,57)(H,54,56,58)
InChIKeyCMZDLULHETZIRF-UHFFFAOYSA-N
MW854.96 g/mol
LogP10.82
Rot. Bonds17

About N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide

N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide (PubChem CID 10557530) has the molecular formula C52H46N4O8 and a molecular weight of 854.96 g/mol. Its IUPAC name is N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide
PubChem CID10557530
Molecular FormulaC52H46N4O8
Molecular Weight854.96 g/mol
Exact Mass854.33
IUPAC NameN-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide
SMILESCOCOc1ccc2cc(-c3cccc(NC(C)=O)n3)c(OCc3ccccc3)cc2c1-c1c(OCOC)ccc2cc(-c3cccc(NC(C)=O)n3)c(OCc3ccccc3)cc12
InChIInChI=1S/C52H46N4O8/c1-33(57)53-49-19-11-17-43(55-49)41-25-37-21-23-45(63-31-59-3)51(39(37)27-47(41)61-29-35-13-7-5-8-14-35)52-40-28-48(62-30-36-15-9-6-10-16-36)42(26-38(40)22-24-46(52)64-32-60-4)44-18-12-20-50(56-44)54-34(2)58/h5-28H,29-32H2,1-4H3,(H,53,55,57)(H,54,56,58)
InChIKeyCMZDLULHETZIRF-UHFFFAOYSA-N
XLogP10.82
TPSA139.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.96
LogP ≤ 510.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide 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

N-[6-[18-(6-acetamido-2-pyridinyl)-10,17-bis(phenylmethoxy)-3,24-dioxahexacyclo[24.3.1.04,13.07,12.014,23.015,20]triaconta-1(30),4(13),5,7,9,11,14(23),15,17,19,21,26,28-tridecaen-9-yl]-2-pyridinyl]acetamide
CID 10843307
ethyl 6,24-bis(6-acetamido-2-pyridinyl)-5,25-bis(phenylmethoxy)-12,18-dioxa-15-azapentacyclo[17.8.0.02,11.03,8.022,27]heptacosa-1(19),2(11),3,5,7,9,20,22,24,26-decaene-15-carboxylate
CID 10772073
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
N-(6-formyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 15239996
3,5-bis(methoxymethoxy)-4-phenylmethoxybenzoic acid
CID 24899884
N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
CID 141355277
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
3-(6-methoxy-2-phenylmethoxynaphthalen-1-yl)-2-propylbenzoic acid
CID 67659199
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
2-[2,6-bis(methoxymethoxy)phenyl]-3-hydroxy-6-phenylmethoxybenzaldehyde
CID 135029831
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
methyl 7-methoxy-6-phenylmethoxynaphthalene-1-carboxylate
CID 151132747

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide (CID 10557530) is N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide is COCOc1ccc2cc(-c3cccc(NC(C)=O)n3)c(OCc3ccccc3)cc2c1-c1c(OCOC)ccc2cc(-c3cccc(NC(C)=O)n3)c(OCc3ccccc3)cc12.
What is the InChIKey of N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide?
The InChIKey is CMZDLULHETZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N4O8/c1-33(57)53-49-19-11-17-43(55-49)41-25-37-21-23-45(63-31-59-3)51(39(37)27-47(41)61-29-35-13-7-5-8-14-35)52-40-28-48(62-30-36-15-9-6-10-16-36)42(26-38(40)22-24-46(52)64-32-60-4)44-18-12-20-50(56-44)54-34(2)58/h5-28H,29-32H2,1-4H3,(H,53,55,57)(H,54,56,58).
What are the key properties of N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide?
N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide has a molecular weight of 854.96 g/mol, XLogP of 10.82, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-[6-(6-acetamido-2-pyridinyl)-2-(methoxymethoxy)-7-phenylmethoxynaphthalen-1-yl]-6-(methoxymethoxy)-3-phenylmethoxynaphthalen-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 10557530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).