2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide

C24H43N5O — CID 123237908

IUPAC2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
SMILESCN(C)CC(=O)NC1CC(c2ccc(NCC(C)(C)C)c(N(C)C)n2)CCC1(C)C
InChIInChI=1S/C24H43N5O/c1-23(2,3)16-25-19-11-10-18(26-22(19)29(8)9)17-12-13-24(4,5)20(14-17)27-21(30)15-28(6)7/h10-11,17,20,25H,12-16H2,1-9H3,(H,27,30)
InChIKeyHJZIMOMKJUDKGG-UHFFFAOYSA-N
MW417.64 g/mol
LogP3.95
Rot. Bonds7

About 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide

2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide (PubChem CID 123237908) has the molecular formula C24H43N5O and a molecular weight of 417.64 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
PubChem CID123237908
Molecular FormulaC24H43N5O
Molecular Weight417.64 g/mol
Exact Mass417.35
IUPAC Name2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
SMILESCN(C)CC(=O)NC1CC(c2ccc(NCC(C)(C)C)c(N(C)C)n2)CCC1(C)C
InChIInChI=1S/C24H43N5O/c1-23(2,3)16-25-19-11-10-18(26-22(19)29(8)9)17-12-13-24(4,5)20(14-17)27-21(30)15-28(6)7/h10-11,17,20,25H,12-16H2,1-9H3,(H,27,30)
InChIKeyHJZIMOMKJUDKGG-UHFFFAOYSA-N
XLogP3.95
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.64
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide (CID 123237908) is 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide is CN(C)CC(=O)NC1CC(c2ccc(NCC(C)(C)C)c(N(C)C)n2)CCC1(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
The InChIKey is HJZIMOMKJUDKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N5O/c1-23(2,3)16-25-19-11-10-18(26-22(19)29(8)9)17-12-13-24(4,5)20(14-17)27-21(30)15-28(6)7/h10-11,17,20,25H,12-16H2,1-9H3,(H,27,30).
What are the key properties of 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide?
2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide has a molecular weight of 417.64 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 123237908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).