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

C19H18N6OS — CID 110426430

IUPAC3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1nnc2sc(CCC(=O)N(Cc3cccnc3)c3ccccc3)nn12
InChIInChI=1S/C19H18N6OS/c1-14-21-22-19-25(14)23-17(27-19)9-10-18(26)24(16-7-3-2-4-8-16)13-15-6-5-11-20-12-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyPOBPGOZFXQLEAE-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.06
Rot. Bonds6

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

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 110426430) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
PubChem CID110426430
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
SMILESCc1nnc2sc(CCC(=O)N(Cc3cccnc3)c3ccccc3)nn12
InChIInChI=1S/C19H18N6OS/c1-14-21-22-19-25(14)23-17(27-19)9-10-18(26)24(16-7-3-2-4-8-16)13-15-6-5-11-20-12-15/h2-8,11-12H,9-10,13H2,1H3
InChIKeyPOBPGOZFXQLEAE-UHFFFAOYSA-N
XLogP3.06
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
N-benzyl-3-methyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384931
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide
CID 110675483
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-dipropylpropanamide
CID 110385562
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
3-(1,3-benzothiazol-2-yl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 78771008
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348
3-morpholin-4-ylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110618751

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide (CID 110426430) is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide is Cc1nnc2sc(CCC(=O)N(Cc3cccnc3)c3ccccc3)nn12.
What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is POBPGOZFXQLEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-14-21-22-19-25(14)23-17(27-19)9-10-18(26)24(16-7-3-2-4-8-16)13-15-6-5-11-20-12-15/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide?
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 378.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 110426430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).