N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide

C25H42N4O2 — CID 135233552

IUPACN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)C3CCOCC3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C25H42N4O2/c1-24(2,3)16-27-20-8-7-19(28-22(20)26-6)18-9-12-25(4,5)21(15-18)29-23(30)17-10-13-31-14-11-17/h7-8,17-18,21,27H,9-16H2,1-6H3,(H,26,28)(H,29,30)
InChIKeyXJOFIMIPITUUSF-UHFFFAOYSA-N
MW430.64 g/mol
LogP4.79
Rot. Bonds6

About N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide (PubChem CID 135233552) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide
PubChem CID135233552
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)C3CCOCC3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C25H42N4O2/c1-24(2,3)16-27-20-8-7-19(28-22(20)26-6)18-9-12-25(4,5)21(15-18)29-23(30)17-10-13-31-14-11-17/h7-8,17-18,21,27H,9-16H2,1-6H3,(H,26,28)(H,29,30)
InChIKeyXJOFIMIPITUUSF-UHFFFAOYSA-N
XLogP4.79
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide with MolForge

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Related Compounds

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-2-piperidin-1-ylacetamide
CID 135233513
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]-1H-1,2,4-triazole-5-carboxamide
CID 71116975
N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
CID 92557507
N-[(1R)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]oxane-4-carboxamide;molecular hydrogen
CID 158785617
N-(7,7-dimethyl-2-pyrrolidin-1-yl-6,8-dihydro-5H-quinazolin-5-yl)oxane-4-carboxamide
CID 110237920
N-[(3S,4R)-1-(4-methoxypyrimidin-2-yl)-4-propylpyrrolidin-3-yl]oxane-4-carboxamide
CID 133109408
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-(2,6-difluoro-3-pyridinyl)oxane-4-carboxamide
CID 103097804
N-[6-(2-ethylanilino)pyridazin-3-yl]oxane-4-carboxamide
CID 113046674
N-(2-tert-butyl-5-methylpyrazol-3-yl)oxane-4-carboxamide
CID 71940687
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide?
The IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide (CID 135233552) is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide?
The canonical SMILES for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide is CNc1nc(C2CCC(C)(C)C(NC(=O)C3CCOCC3)C2)ccc1NCC(C)(C)C.
What is the InChIKey of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide?
The InChIKey is XJOFIMIPITUUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-24(2,3)16-27-20-8-7-19(28-22(20)26-6)18-9-12-25(4,5)21(15-18)29-23(30)17-10-13-31-14-11-17/h7-8,17-18,21,27H,9-16H2,1-6H3,(H,26,28)(H,29,30).
What are the key properties of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide?
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]oxane-4-carboxamide has a molecular weight of 430.64 g/mol, XLogP of 4.79, 6 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]oxane-4-carboxamide is sourced from PubChem (CID 135233552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).