N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide

C26H45N5O — CID 135233513

IUPACN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)CN3CCCCC3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C26H45N5O/c1-25(2,3)18-28-21-11-10-20(29-24(21)27-6)19-12-13-26(4,5)22(16-19)30-23(32)17-31-14-8-7-9-15-31/h10-11,19,22,28H,7-9,12-18H2,1-6H3,(H,27,29)(H,30,32)
InChIKeyZOWKTXHCYFZLRY-UHFFFAOYSA-N
MW443.68 g/mol
LogP4.85
Rot. Bonds7

About N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide (PubChem CID 135233513) has the molecular formula C26H45N5O and a molecular weight of 443.68 g/mol. Its IUPAC name is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide
PubChem CID135233513
Molecular FormulaC26H45N5O
Molecular Weight443.68 g/mol
Exact Mass443.36
IUPAC NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)CN3CCCCC3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C26H45N5O/c1-25(2,3)18-28-21-11-10-20(29-24(21)27-6)19-12-13-26(4,5)22(16-19)30-23(32)17-31-14-8-7-9-15-31/h10-11,19,22,28H,7-9,12-18H2,1-6H3,(H,27,29)(H,30,32)
InChIKeyZOWKTXHCYFZLRY-UHFFFAOYSA-N
XLogP4.85
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.68
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide with MolForge

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Related Compounds

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide
CID 135233552
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
CID 135233420
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 71116838
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide
CID 71117105
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 71116975
2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878300
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
N-[5-[7-(2,2-dimethylpropyl)-3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 123851600
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 11652275
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-piperidin-1-ylacetamide chloride
CID 53351434
N-cyclohexyl-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 68873162

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide (CID 135233513) is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide is CNc1nc(C2CCC(C)(C)C(NC(=O)CN3CCCCC3)C2)ccc1NCC(C)(C)C.
What is the InChIKey of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide?
The InChIKey is ZOWKTXHCYFZLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N5O/c1-25(2,3)18-28-21-11-10-20(29-24(21)27-6)19-12-13-26(4,5)22(16-19)30-23(32)17-31-14-8-7-9-15-31/h10-11,19,22,28H,7-9,12-18H2,1-6H3,(H,27,29)(H,30,32).
What are the key properties of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide?
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide has a molecular weight of 443.68 g/mol, XLogP of 4.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 135233513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).