N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide

C22H34N6OS — CID 135233420

IUPACN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)c3cnsn3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C22H34N6OS/c1-21(2,3)13-24-16-8-7-15(26-19(16)23-6)14-9-10-22(4,5)18(11-14)27-20(29)17-12-25-30-28-17/h7-8,12,14,18,24H,9-11,13H2,1-6H3,(H,23,26)(H,27,29)
InChIKeyBKXIHOVLNQYMLG-UHFFFAOYSA-N
MW430.62 g/mol
LogP4.53
Rot. Bonds6

About N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 135233420) has the molecular formula C22H34N6OS and a molecular weight of 430.62 g/mol. Its IUPAC name is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID135233420
Molecular FormulaC22H34N6OS
Molecular Weight430.62 g/mol
Exact Mass430.25
IUPAC NameN-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCNc1nc(C2CCC(C)(C)C(NC(=O)c3cnsn3)C2)ccc1NCC(C)(C)C
InChIInChI=1S/C22H34N6OS/c1-21(2,3)13-24-16-8-7-15(26-19(16)23-6)14-9-10-22(4,5)18(11-14)27-20(29)17-12-25-30-28-17/h7-8,12,14,18,24H,9-11,13H2,1-6H3,(H,23,26)(H,27,29)
InChIKeyBKXIHOVLNQYMLG-UHFFFAOYSA-N
XLogP4.53
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 135233732
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]-2-piperidin-1-ylacetamide
CID 135233513
2-(1H-benzimidazol-2-yl)-N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
CID 135233515
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-4-formylbenzenesulfonamide
CID 135233444
2-(dimethylamino)-N-[5-[6-(dimethylamino)-5-(2,2-dimethylpropylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]acetamide
CID 123237908
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 71135242
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-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 71117061
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]-2-(3-methylpyrazol-1-yl)acetamide
CID 71116838
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide (CID 135233420) is N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide is CNc1nc(C2CCC(C)(C)C(NC(=O)c3cnsn3)C2)ccc1NCC(C)(C)C.
What is the InChIKey of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is BKXIHOVLNQYMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6OS/c1-21(2,3)13-24-16-8-7-15(26-19(16)23-6)14-9-10-22(4,5)18(11-14)27-20(29)17-12-25-30-28-17/h7-8,12,14,18,24H,9-11,13H2,1-6H3,(H,23,26)(H,27,29).
What are the key properties of N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide?
N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)-2-pyridinyl]-2,2-dimethylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 430.62 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 135233420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).