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

C56H44N4O6 — CID 10843307

IUPACN-[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
SMILESCC(=O)Nc1cccc(-c2cc3ccc4c(c3cc2OCc2ccccc2)-c2c(ccc3cc(-c5cccc(NC(C)=O)n5)c(OCc5ccccc5)cc23)OCc2cccc(c2)CO4)n1
InChIInChI=1S/C56H44N4O6/c1-35(61)57-53-20-10-18-47(59-53)45-27-41-22-24-49-55(43(41)29-51(45)65-31-37-12-5-3-6-13-37)56-44-30-52(66-32-38-14-7-4-8-15-38)46(48-19-11-21-54(60-48)58-36(2)62)28-42(44)23-25-50(56)64-34-40-17-9-16-39(26-40)33-63-49/h3-30H,31-34H2,1-2H3,(H,57,59,61)(H,58,60,62)
InChIKeyUVRGUOWALXIBBH-UHFFFAOYSA-N
MW868.99 g/mol
LogP12.33
Rot. Bonds10

About 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

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 (PubChem CID 10843307) has the molecular formula C56H44N4O6 and a molecular weight of 868.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID10843307
Molecular FormulaC56H44N4O6
Molecular Weight868.99 g/mol
Exact Mass868.33
IUPAC NameN-[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
SMILESCC(=O)Nc1cccc(-c2cc3ccc4c(c3cc2OCc2ccccc2)-c2c(ccc3cc(-c5cccc(NC(C)=O)n5)c(OCc5ccccc5)cc23)OCc2cccc(c2)CO4)n1
InChIInChI=1S/C56H44N4O6/c1-35(61)57-53-20-10-18-47(59-53)45-27-41-22-24-49-55(43(41)29-51(45)65-31-37-12-5-3-6-13-37)56-44-30-52(66-32-38-14-7-4-8-15-38)46(48-19-11-21-54(60-48)58-36(2)62)28-42(44)23-25-50(56)64-34-40-17-9-16-39(26-40)33-63-49/h3-30H,31-34H2,1-2H3,(H,57,59,61)(H,58,60,62)
InChIKeyUVRGUOWALXIBBH-UHFFFAOYSA-N
XLogP12.33
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.99
LogP ≤ 512.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
6-acetamido-3-phenylmethoxypyridine-2-carboxylic acid
CID 15239997
N-(6-formyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 15239996
6,20-dibromo-13-hydroxy-5,21-bis(phenylmethoxy)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 66646516
N-(7-phenylmethoxynaphthalen-1-yl)acetamide
CID 91699937
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylmethoxybenzamide
CID 8799672
N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
CID 141355277
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-phenylmethoxybenzamide
CID 9166024
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-phenylmethoxybenzamide
CID 8702201
2-(4-oxo-8-phenylmethoxychromen-3-ylidene)acetic acid
CID 139756012
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cccc(-c2cc3ccc4c(c3cc2OCc2ccccc2)-c2c(ccc3cc(-c5cccc(NC(C)=O)n5)c(OCc5ccccc5)cc23)OCc2cccc(c2)CO4)n1.
What is the InChIKey of 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?
The InChIKey is UVRGUOWALXIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N4O6/c1-35(61)57-53-20-10-18-47(59-53)45-27-41-22-24-49-55(43(41)29-51(45)65-31-37-12-5-3-6-13-37)56-44-30-52(66-32-38-14-7-4-8-15-38)46(48-19-11-21-54(60-48)58-36(2)62)28-42(44)23-25-50(56)64-34-40-17-9-16-39(26-40)33-63-49/h3-30H,31-34H2,1-2H3,(H,57,59,61)(H,58,60,62).
What are the key properties of 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?
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 has a molecular weight of 868.99 g/mol, XLogP of 12.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10843307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).