N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide

C98H82N6O10 — CID 167319944

IUPACN-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide
SMILESCc1cc(C(C)C)ccc1Oc1cc2c3c(cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c1c34)c75)C(=O)N(C(C(=O)Nc1ccc3ccccc3c1)c1cccnc1)C6=O)C(=O)N(C(C(=O)Nc1ccc3ccccc3c1)c1cccnc1)C2=O
InChIInChI=1S/C98H82N6O10/c1-51(2)61-27-33-75(55(9)39-61)111-79-45-71-83-72(96(108)103(95(71)107)91(67-23-17-37-99-49-67)93(105)101-69-31-25-59-19-13-15-21-65(59)43-69)47-81(113-77-35-29-63(53(5)6)41-57(77)11)87-88-82(114-78-36-30-64(54(7)8)42-58(78)12)48-74-84-73(46-80(86(90(84)88)85(79)89(83)87)112-76-34-28-62(52(3)4)40-56(76)10)97(109)104(98(74)110)92(68-24-18-38-100-50-68)94(106)102-70-32-26-60-20-14-16-22-66(60)44-70/h13-54,91-92H,1-12H3,(H,101,105)(H,102,106)
InChIKeyZMZYIYDKMKVKFU-UHFFFAOYSA-N
MW1503.77 g/mol
LogP23.68
Rot. Bonds20

About N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide

N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide (PubChem CID 167319944) has the molecular formula C98H82N6O10 and a molecular weight of 1503.77 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide
PubChem CID167319944
Molecular FormulaC98H82N6O10
Molecular Weight1503.77 g/mol
Exact Mass1502.61
IUPAC NameN-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide
SMILESCc1cc(C(C)C)ccc1Oc1cc2c3c(cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c1c34)c75)C(=O)N(C(C(=O)Nc1ccc3ccccc3c1)c1cccnc1)C6=O)C(=O)N(C(C(=O)Nc1ccc3ccccc3c1)c1cccnc1)C2=O
InChIInChI=1S/C98H82N6O10/c1-51(2)61-27-33-75(55(9)39-61)111-79-45-71-83-72(96(108)103(95(71)107)91(67-23-17-37-99-49-67)93(105)101-69-31-25-59-19-13-15-21-65(59)43-69)47-81(113-77-35-29-63(53(5)6)41-57(77)11)87-88-82(114-78-36-30-64(54(7)8)42-58(78)12)48-74-84-73(46-80(86(90(84)88)85(79)89(83)87)112-76-34-28-62(52(3)4)40-56(76)10)97(109)104(98(74)110)92(68-24-18-38-100-50-68)94(106)102-70-32-26-60-20-14-16-22-66(60)44-70/h13-54,91-92H,1-12H3,(H,101,105)(H,102,106)
InChIKeyZMZYIYDKMKVKFU-UHFFFAOYSA-N
XLogP23.68
TPSA195.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001503.77
LogP ≤ 523.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?
The IUPAC name of N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide (CID 167319944) is N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide.
What is the SMILES notation for N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?
The canonical SMILES for N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide is Cc1cc(C(C)C)ccc1Oc1cc2c3c(cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c1c34)c75)C(=O)N(C(C(=O)Nc1ccc3ccccc3c1)c1cccnc1)C6=O)C(=O)N(C(C(=O)Nc1ccc3ccccc3c1)c1cccnc1)C2=O.
What is the InChIKey of N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?
The InChIKey is ZMZYIYDKMKVKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H82N6O10/c1-51(2)61-27-33-75(55(9)39-61)111-79-45-71-83-72(96(108)103(95(71)107)91(67-23-17-37-99-49-67)93(105)101-69-31-25-59-19-13-15-21-65(59)43-69)47-81(113-77-35-29-63(53(5)6)41-57(77)11)87-88-82(114-78-36-30-64(54(7)8)42-58(78)12)48-74-84-73(46-80(86(90(84)88)85(79)89(83)87)112-76-34-28-62(52(3)4)40-56(76)10)97(109)104(98(74)110)92(68-24-18-38-100-50-68)94(106)102-70-32-26-60-20-14-16-22-66(60)44-70/h13-54,91-92H,1-12H3,(H,101,105)(H,102,106).
What are the key properties of N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?
N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide has a molecular weight of 1503.77 g/mol, XLogP of 23.68, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-2-pyridin-3-yl-2-[11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-18-[2-(naphthalen-2-ylamino)-2-oxo-1-pyridin-3-ylethyl]-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide is sourced from PubChem (CID 167319944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).