N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

C18H26N6OS — CID 91948871

IUPACN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCN1CCN(C2(CNC(=O)c3cnc4nsnc4c3)CCCCC2)CC1
InChIInChI=1S/C18H26N6OS/c1-23-7-9-24(10-8-23)18(5-3-2-4-6-18)13-20-17(25)14-11-15-16(19-12-14)22-26-21-15/h11-12H,2-10,13H2,1H3,(H,20,25)
InChIKeyDUXYQDDRXUFOKJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.77
Rot. Bonds4

About N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 91948871) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
PubChem CID91948871
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC NameN-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCN1CCN(C2(CNC(=O)c3cnc4nsnc4c3)CCCCC2)CC1
InChIInChI=1S/C18H26N6OS/c1-23-7-9-24(10-8-23)18(5-3-2-4-6-18)13-20-17(25)14-11-15-16(19-12-14)22-26-21-15/h11-12H,2-10,13H2,1H3,(H,20,25)
InChIKeyDUXYQDDRXUFOKJ-UHFFFAOYSA-N
XLogP1.77
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506711
N-(2-morpholin-4-ylethyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948937
2-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3H-benzimidazole-5-carboxamide
CID 74242211
N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]-3-pyridin-4-ylbenzamide
CID 118793572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176503484
N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948867
4-amino-3-ethanimidoyl-N-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methyl]benzamide
CID 134567416
4-butoxy-3,5-dimethoxybenzoic acid;4-butoxy-3,5-dimethoxy-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]benzamide;[1-(4-methylpiperazin-1-yl)cyclohexyl]methanamine
CID 160975646
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 136528247
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
[6-[[1-(4-methylpiperazin-1-yl)cyclopentyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 134700458

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (CID 91948871) is N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is CN1CCN(C2(CNC(=O)c3cnc4nsnc4c3)CCCCC2)CC1.
What is the InChIKey of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is DUXYQDDRXUFOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-23-7-9-24(10-8-23)18(5-3-2-4-6-18)13-20-17(25)14-11-15-16(19-12-14)22-26-21-15/h11-12H,2-10,13H2,1H3,(H,20,25).
What are the key properties of N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 91948871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).