6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide

C26H32N6O3 — CID 59161109

IUPAC6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESCC(=O)NCCNc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5ccccn5)(C4)C2)C3)n1
InChIInChI=1S/C26H32N6O3/c1-17(33)27-9-10-29-22-7-4-6-21(30-22)24(35)32-26-14-18-11-19(15-26)13-25(12-18,16-26)31-23(34)20-5-2-3-8-28-20/h2-8,18-19H,9-16H2,1H3,(H,27,33)(H,29,30)(H,31,34)(H,32,35)
InChIKeyDUWMIQHXTPHEBD-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.28
Rot. Bonds8

About 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide

6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide (PubChem CID 59161109) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
PubChem CID59161109
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
SMILESCC(=O)NCCNc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5ccccn5)(C4)C2)C3)n1
InChIInChI=1S/C26H32N6O3/c1-17(33)27-9-10-29-22-7-4-6-21(30-22)24(35)32-26-14-18-11-19(15-26)13-25(12-18,16-26)31-23(34)20-5-2-3-8-28-20/h2-8,18-19H,9-16H2,1H3,(H,27,33)(H,29,30)(H,31,34)(H,32,35)
InChIKeyDUWMIQHXTPHEBD-UHFFFAOYSA-N
XLogP2.28
TPSA125.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-methylpiperazin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358484
6-(4-hydroxypiperidin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358655
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358543
N-[3-(pyridine-2-carbonylamino)-1-adamantyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 59161064
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
N-[2-[[6-(methylamino)-2-pyridinyl]amino]ethyl]acetamide
CID 80786842
N-[2-[(6-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 60876058
6-ethenyl-N-[3-(pyridine-4-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 163795601
N-[3-(naphthalene-1-carbonylamino)-1-adamantyl]naphthalene-1-carboxamide
CID 170205515
N-(3-amino-1-adamantyl)-6-fluoropyridine-2-carboxamide
CID 67480683
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
CID 123657933

Frequently Asked Questions

What is the IUPAC name of 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide (CID 59161109) is 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide is CC(=O)NCCNc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5ccccn5)(C4)C2)C3)n1.
What is the InChIKey of 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
The InChIKey is DUWMIQHXTPHEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-17(33)27-9-10-29-22-7-4-6-21(30-22)24(35)32-26-14-18-11-19(15-26)13-25(12-18,16-26)31-23(34)20-5-2-3-8-28-20/h2-8,18-19H,9-16H2,1H3,(H,27,33)(H,29,30)(H,31,34)(H,32,35).
What are the key properties of 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide?
6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.28, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-acetamidoethylamino)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide is sourced from PubChem (CID 59161109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).