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

C68H69N17O7S — CID 123195089

IUPAC5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-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)ccc2C2=CC(c3ccc(N4CCN(C)CC4)nc3)N=CC2)c(-c2ccc(S(=O)(=O)NC)nc2-c2ccc(C)nc2Oc2ccncc2)n1
InChIInChI=1S/C68H69N17O7S/c1-41-9-11-52(68(74-41)92-45-26-28-71-29-27-45)66-51(17-24-60(81-66)93(88,89)70-4)62-47(12-18-53(76-62)67(87)69-3)65-50(16-23-59(80-65)90-8)64-49(15-21-57(78-64)82(5)6)63-48(13-19-55(77-63)75-42(2)86)61-46(14-22-58(79-61)85-35-37-91-38-36-85)43-25-30-72-54(39-43)44-10-20-56(73-40-44)84-33-31-83(7)32-34-84/h9-24,26-30,39-40,54,70H,25,31-38H2,1-8H3,(H,69,87)(H,75,77,86)
InChIKeyHQKNXHRBALSQON-UHFFFAOYSA-N
MW1268.48 g/mol
LogP8.83
Rot. Bonds18

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

5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 123195089) has the molecular formula C68H69N17O7S and a molecular weight of 1268.48 g/mol. Its IUPAC name is 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID123195089
Molecular FormulaC68H69N17O7S
Molecular Weight1268.48 g/mol
Exact Mass1267.53
IUPAC Name5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-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)ccc2C2=CC(c3ccc(N4CCN(C)CC4)nc3)N=CC2)c(-c2ccc(S(=O)(=O)NC)nc2-c2ccc(C)nc2Oc2ccncc2)n1
InChIInChI=1S/C68H69N17O7S/c1-41-9-11-52(68(74-41)92-45-26-28-71-29-27-45)66-51(17-24-60(81-66)93(88,89)70-4)62-47(12-18-53(76-62)67(87)69-3)65-50(16-23-59(80-65)90-8)64-49(15-21-57(78-64)82(5)6)63-48(13-19-55(77-63)75-42(2)86)61-46(14-22-58(79-61)85-35-37-91-38-36-85)43-25-30-72-54(39-43)44-10-20-56(73-40-44)84-33-31-83(7)32-34-84/h9-24,26-30,39-40,54,70H,25,31-38H2,1-8H3,(H,69,87)(H,75,77,86)
InChIKeyHQKNXHRBALSQON-UHFFFAOYSA-N
XLogP8.83
TPSA273.39 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.48
LogP ≤ 58.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

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

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Launch Full Analysis

Related Compounds

2-Fluoro-5-[[[1-[[6-[4-(2-methoxyethylsulfamoyl)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-(5-methyl-2-pyridinyl)carbamoyl]amino]benzamide
CID 67335575
N-(6-aminopyridin-2-yl)sulfonyl-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxypyridin-3-yl)pyridine-3-carboxamide
CID 121250573
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250894
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121251807
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121252081
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4-fluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121252237
N-(6-aminopyridin-2-yl)sulfonyl-6-(6-propan-2-yloxypyridin-3-yl)-2-[3-(2,2,2-trifluoroethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121252378
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-(3,4-difluorophenyl)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
CID 121253595
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(6-ethoxy-3-pyridinyl)-2-(4-fluoropiperidin-1-yl)pyridine-3-carboxamide
CID 139459034
N-[(6-anilino-2-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 155023692
[6-(4-aminobutylamino)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(3R)-3-amino-4-methylpentyl]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone
CID 159386815
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[4-(cyclopropylmethoxy)piperidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-(3,3-dimethylpiperidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 160899177

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide (CID 123195089) is 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-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)ccc2C2=CC(c3ccc(N4CCN(C)CC4)nc3)N=CC2)c(-c2ccc(S(=O)(=O)NC)nc2-c2ccc(C)nc2Oc2ccncc2)n1.
What is the InChIKey of 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is HQKNXHRBALSQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H69N17O7S/c1-41-9-11-52(68(74-41)92-45-26-28-71-29-27-45)66-51(17-24-60(81-66)93(88,89)70-4)62-47(12-18-53(76-62)67(87)69-3)65-50(16-23-59(80-65)90-8)64-49(15-21-57(78-64)82(5)6)63-48(13-19-55(77-63)75-42(2)86)61-46(14-22-58(79-61)85-35-37-91-38-36-85)43-25-30-72-54(39-43)44-10-20-56(73-40-44)84-33-31-83(7)32-34-84/h9-24,26-30,39-40,54,70H,25,31-38H2,1-8H3,(H,69,87)(H,75,77,86).
What are the key properties of 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide?
5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 1268.48 g/mol, XLogP of 8.83, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 123195089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).