2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide

C56H85N9O6 — CID 143679175

IUPAC2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCCC(C)(CCCc1cnc(NC(=O)C(C)(CC)CCc2cnc(NC(=O)C3C(C)(C)C3(C)C)cc2CN2CCOCC2)cc1CN1CCOCC1)C(=O)Nc1cc(CN2CCOCC2)c(C(C)C)cn1
InChIInChI=1S/C56H85N9O6/c1-11-55(9,51(67)62-48-32-44(45(35-59-48)39(3)4)38-65-22-28-71-29-23-65)16-13-14-40-33-58-47(31-42(40)36-63-18-24-69-25-19-63)61-52(68)56(10,12-2)17-15-41-34-57-46(30-43(41)37-64-20-26-70-27-21-64)60-50(66)49-53(5,6)54(49,7)8/h30-35,39,49H,11-29,36-38H2,1-10H3,(H,57,60,66)(H,58,61,68)(H,59,62,67)
InChIKeyQIKQIGAZMNEGTG-UHFFFAOYSA-N
MW980.35 g/mol
LogP8.48
Rot. Bonds22

About 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 143679175) has the molecular formula C56H85N9O6 and a molecular weight of 980.35 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID143679175
Molecular FormulaC56H85N9O6
Molecular Weight980.35 g/mol
Exact Mass979.66
IUPAC Name2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCCC(C)(CCCc1cnc(NC(=O)C(C)(CC)CCc2cnc(NC(=O)C3C(C)(C)C3(C)C)cc2CN2CCOCC2)cc1CN1CCOCC1)C(=O)Nc1cc(CN2CCOCC2)c(C(C)C)cn1
InChIInChI=1S/C56H85N9O6/c1-11-55(9,51(67)62-48-32-44(45(35-59-48)39(3)4)38-65-22-28-71-29-23-65)16-13-14-40-33-58-47(31-42(40)36-63-18-24-69-25-19-63)61-52(68)56(10,12-2)17-15-41-34-57-46(30-43(41)37-64-20-26-70-27-21-64)60-50(66)49-53(5,6)54(49,7)8/h30-35,39,49H,11-29,36-38H2,1-10H3,(H,57,60,66)(H,58,61,68)(H,59,62,67)
InChIKeyQIKQIGAZMNEGTG-UHFFFAOYSA-N
XLogP8.48
TPSA163.38 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500980.35
LogP ≤ 58.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 143679175) is 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide is CCC(C)(CCCc1cnc(NC(=O)C(C)(CC)CCc2cnc(NC(=O)C3C(C)(C)C3(C)C)cc2CN2CCOCC2)cc1CN1CCOCC1)C(=O)Nc1cc(CN2CCOCC2)c(C(C)C)cn1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is QIKQIGAZMNEGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H85N9O6/c1-11-55(9,51(67)62-48-32-44(45(35-59-48)39(3)4)38-65-22-28-71-29-23-65)16-13-14-40-33-58-47(31-42(40)36-63-18-24-69-25-19-63)61-52(68)56(10,12-2)17-15-41-34-57-46(30-43(41)37-64-20-26-70-27-21-64)60-50(66)49-53(5,6)54(49,7)8/h30-35,39,49H,11-29,36-38H2,1-10H3,(H,57,60,66)(H,58,61,68)(H,59,62,67).
What are the key properties of 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 980.35 g/mol, XLogP of 8.48, 22 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[5-[3-methyl-3-[[5-[4-methyl-4-[[4-(morpholin-4-ylmethyl)-5-propan-2-yl-2-pyridinyl]carbamoyl]hexyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]carbamoyl]pentyl]-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 143679175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).