N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide

C57H66N6O9 — CID 101167585

IUPACN-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide
SMILESCC(C)(C)c1cc2c(OCC(=O)Nc3cccnc3)c(c1)COCc1cc(C(C)(C)C)cc(c1OCC(=O)Nc1cccnc1)COCc1cc(C(C)(C)C)cc(c1OCC(=O)Nc1cccnc1)COC2
InChIInChI=1S/C57H66N6O9/c1-55(2,3)43-19-37-28-67-30-39-21-44(56(4,5)6)23-41(53(39)71-35-50(65)62-47-14-11-17-59-26-47)32-69-33-42-24-45(57(7,8)9)22-40(54(42)72-36-51(66)63-48-15-12-18-60-27-48)31-68-29-38(20-43)52(37)70-34-49(64)61-46-13-10-16-58-25-46/h10-27H,28-36H2,1-9H3,(H,61,64)(H,62,65)(H,63,66)
InChIKeyNUUYHEUMRZQXNL-UHFFFAOYSA-N
MW979.19 g/mol
LogP10.28
Rot. Bonds12

About N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide

N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide (PubChem CID 101167585) has the molecular formula C57H66N6O9 and a molecular weight of 979.19 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide
PubChem CID101167585
Molecular FormulaC57H66N6O9
Molecular Weight979.19 g/mol
Exact Mass978.49
IUPAC NameN-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide
SMILESCC(C)(C)c1cc2c(OCC(=O)Nc3cccnc3)c(c1)COCc1cc(C(C)(C)C)cc(c1OCC(=O)Nc1cccnc1)COCc1cc(C(C)(C)C)cc(c1OCC(=O)Nc1cccnc1)COC2
InChIInChI=1S/C57H66N6O9/c1-55(2,3)43-19-37-28-67-30-39-21-44(56(4,5)6)23-41(53(39)71-35-50(65)62-47-14-11-17-59-26-47)32-69-33-42-24-45(57(7,8)9)22-40(54(42)72-36-51(66)63-48-15-12-18-60-27-48)31-68-29-38(20-43)52(37)70-34-49(64)61-46-13-10-16-58-25-46/h10-27H,28-36H2,1-9H3,(H,61,64)(H,62,65)(H,63,66)
InChIKeyNUUYHEUMRZQXNL-UHFFFAOYSA-N
XLogP10.28
TPSA181.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.19
LogP ≤ 510.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide with MolForge

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-3-ylacetamide
CID 738217
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-oxo-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 56970819
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide?
The IUPAC name of N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide (CID 101167585) is N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide?
The canonical SMILES for N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide is CC(C)(C)c1cc2c(OCC(=O)Nc3cccnc3)c(c1)COCc1cc(C(C)(C)C)cc(c1OCC(=O)Nc1cccnc1)COCc1cc(C(C)(C)C)cc(c1OCC(=O)Nc1cccnc1)COC2.
What is the InChIKey of N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide?
The InChIKey is NUUYHEUMRZQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H66N6O9/c1-55(2,3)43-19-37-28-67-30-39-21-44(56(4,5)6)23-41(53(39)71-35-50(65)62-47-14-11-17-59-26-47)32-69-33-42-24-45(57(7,8)9)22-40(54(42)72-36-51(66)63-48-15-12-18-60-27-48)31-68-29-38(20-43)52(37)70-34-49(64)61-46-13-10-16-58-25-46/h10-27H,28-36H2,1-9H3,(H,61,64)(H,62,65)(H,63,66).
What are the key properties of N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide?
N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide has a molecular weight of 979.19 g/mol, XLogP of 10.28, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[[7,15,23-tritert-butyl-26,27-bis[2-oxo-2-(pyridin-3-ylamino)ethoxy]-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-25-yl]oxy]acetamide is sourced from PubChem (CID 101167585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).