N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide

C17H22N6OS — CID 110386020

IUPACN-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)c1nnc2sc(CCC(=O)N(C)CCc3ccncc3)nn12
InChIInChI=1S/C17H22N6OS/c1-12(2)16-19-20-17-23(16)21-14(25-17)4-5-15(24)22(3)11-8-13-6-9-18-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyGIEXBWMEQPIEBN-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.34
Rot. Bonds7

About N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide

N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 110386020) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID110386020
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC NameN-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)c1nnc2sc(CCC(=O)N(C)CCc3ccncc3)nn12
InChIInChI=1S/C17H22N6OS/c1-12(2)16-19-20-17-23(16)21-14(25-17)4-5-15(24)22(3)11-8-13-6-9-18-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3
InChIKeyGIEXBWMEQPIEBN-UHFFFAOYSA-N
XLogP2.34
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide with MolForge

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Related Compounds

N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
N',2-dimethyl-N'-(2-pyridin-4-ylethyl)butanediamide
CID 112510368
5-amino-N,4-dimethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 82010789
N-(3-methylbutyl)-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110386041
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
3-[acetyl(2-methylpropyl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113115956
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-(3-amino-4-methylpentyl)-N-methyl-3-pyridin-4-ylpropanamide
CID 81484685
3-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]-5-oxopentanoic acid
CID 62966262
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide (CID 110386020) is N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide is CC(C)c1nnc2sc(CCC(=O)N(C)CCc3ccncc3)nn12.
What is the InChIKey of N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is GIEXBWMEQPIEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-12(2)16-19-20-17-23(16)21-14(25-17)4-5-15(24)22(3)11-8-13-6-9-18-10-7-13/h6-7,9-10,12H,4-5,8,11H2,1-3H3.
What are the key properties of N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide?
N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 358.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 110386020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).