5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide

C69H69N17O8S2 — CID 123914348

IUPAC5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nc(OC)ccc2-c2nc(N(C)C)ccc2-c2nc(NC(C)=O)ccc2-c2nc(N3CCOCC3)ccc2-c2cc(-c3ccc(N4CCN(C)CC4)nc3)ncc2NS(=O)(=O)c2ccccc2)c(-c2ccc(S(=O)(=O)NC)nc2-c2ccc(C)nc2)n1
InChIInChI=1S/C69H69N17O8S2/c1-42-14-15-45(40-72-42)63-48(22-29-62(81-63)96(91,92)71-4)65-49(17-23-54(76-65)69(88)70-3)68-52(21-28-61(80-68)93-8)67-51(20-26-59(78-67)83(5)6)66-50(18-24-57(77-66)75-43(2)87)64-47(19-27-60(79-64)86-34-36-94-37-35-86)53-38-55(44-16-25-58(74-39-44)85-32-30-84(7)31-33-85)73-41-56(53)82-95(89,90)46-12-10-9-11-13-46/h9-29,38-41,71,82H,30-37H2,1-8H3,(H,70,88)(H,75,77,87)
InChIKeyDPKCICXZMZLDMD-UHFFFAOYSA-N
MW1328.56 g/mol
LogP8.58
Rot. Bonds19

About 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide

5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 123914348) has the molecular formula C69H69N17O8S2 and a molecular weight of 1328.56 g/mol. Its IUPAC name is 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID123914348
Molecular FormulaC69H69N17O8S2
Molecular Weight1328.56 g/mol
Exact Mass1327.50
IUPAC Name5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2nc(OC)ccc2-c2nc(N(C)C)ccc2-c2nc(NC(C)=O)ccc2-c2nc(N3CCOCC3)ccc2-c2cc(-c3ccc(N4CCN(C)CC4)nc3)ncc2NS(=O)(=O)c2ccccc2)c(-c2ccc(S(=O)(=O)NC)nc2-c2ccc(C)nc2)n1
InChIInChI=1S/C69H69N17O8S2/c1-42-14-15-45(40-72-42)63-48(22-29-62(81-63)96(91,92)71-4)65-49(17-23-54(76-65)69(88)70-3)68-52(21-28-61(80-68)93-8)67-51(20-26-59(78-67)83(5)6)66-50(18-24-57(77-66)75-43(2)87)64-47(19-27-60(79-64)86-34-36-94-37-35-86)53-38-55(44-16-25-58(74-39-44)85-32-30-84(7)31-33-85)73-41-56(53)82-95(89,90)46-12-10-9-11-13-46/h9-29,38-41,71,82H,30-37H2,1-8H3,(H,70,88)(H,75,77,87)
InChIKeyDPKCICXZMZLDMD-UHFFFAOYSA-N
XLogP8.58
TPSA297.97 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001328.56
LogP ≤ 58.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

phenyl (2S)-2-[[2,5-difluoro-4-[[5-[2-(oxan-4-yl)-4-pyridinyl]-2-pyridinyl]sulfonylamino]benzoyl]amino]-4-[5-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-2-pyridinyl]butanoate
CID 132147086
N-[(6-anilino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 155023692
N-[(6-amino-2-pyridinyl)sulfonyl]-5-(4-tert-butylphenyl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-morpholin-4-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 158746582
N-[(4-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-2-morpholinyl)methyl]-3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 11576855
N-(2-methoxyethyl)-N-[1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]-3-oxo-4H-pyrido[3,2-b][1,4]thiazine-6-carboxamide
CID 16064855
6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 57795037
26-Methoxy-23,23-dioxo-23lambda6-thia-6,12,16,24,27,32-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,9]dotriaconta-1(29),2,4(9),5,7,10,12,14(31),18(30),19,21,25,27-tridecaen-17-one
CID 71041956
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CID 91539041
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121250780
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,4-dimethylpiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121250997
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121251023
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-phenylmethoxypiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121251099

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide (CID 123914348) is 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide is CNC(=O)c1ccc(-c2nc(OC)ccc2-c2nc(N(C)C)ccc2-c2nc(NC(C)=O)ccc2-c2nc(N3CCOCC3)ccc2-c2cc(-c3ccc(N4CCN(C)CC4)nc3)ncc2NS(=O)(=O)c2ccccc2)c(-c2ccc(S(=O)(=O)NC)nc2-c2ccc(C)nc2)n1.
What is the InChIKey of 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is DPKCICXZMZLDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H69N17O8S2/c1-42-14-15-45(40-72-42)63-48(22-29-62(81-63)96(91,92)71-4)65-49(17-23-54(76-65)69(88)70-3)68-52(21-28-61(80-68)93-8)67-51(20-26-59(78-67)83(5)6)66-50(18-24-57(77-66)75-43(2)87)64-47(19-27-60(79-64)86-34-36-94-37-35-86)53-38-55(44-16-25-58(74-39-44)85-32-30-84(7)31-33-85)73-41-56(53)82-95(89,90)46-12-10-9-11-13-46/h9-29,38-41,71,82H,30-37H2,1-8H3,(H,70,88)(H,75,77,87).
What are the key properties of 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 1328.56 g/mol, XLogP of 8.58, 19 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 123914348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).