3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

C18H24N4O — CID 75480219

IUPAC3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCc3nnc(C(C)C)n3C2)c1
InChIInChI=1S/C18H24N4O/c1-11(2)17-21-20-16-6-5-15(10-22(16)17)19-18(23)14-8-12(3)7-13(4)9-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,23)
InChIKeyAYCABOVUPFSESI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.76
Rot. Bonds3

About 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide

3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (PubChem CID 75480219) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
PubChem CID75480219
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
SMILESCc1cc(C)cc(C(=O)NC2CCc3nnc(C(C)C)n3C2)c1
InChIInChI=1S/C18H24N4O/c1-11(2)17-21-20-16-6-5-15(10-22(16)17)19-18(23)14-8-12(3)7-13(4)9-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,23)
InChIKeyAYCABOVUPFSESI-UHFFFAOYSA-N
XLogP2.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide with MolForge

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Related Compounds

4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 75473933
5-(4-fluorophenyl)-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2-oxazole-3-carboxamide
CID 75468904
1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 75468562
5-methoxy-3-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-benzofuran-2-carboxamide
CID 97315987
2-(2-methyl-1,3-thiazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95137616
3,5-dimethyl-N-(4-oxocyclohexyl)benzamide
CID 43652880
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704
3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide
CID 75470231
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
CID 97344451
3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 95144835
1-(2-hydroxyethyl)-2-methyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119152581

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide (CID 75480219) is 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is Cc1cc(C)cc(C(=O)NC2CCc3nnc(C(C)C)n3C2)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
The InChIKey is AYCABOVUPFSESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-11(2)17-21-20-16-6-5-15(10-22(16)17)19-18(23)14-8-12(3)7-13(4)9-14/h7-9,11,15H,5-6,10H2,1-4H3,(H,19,23).
What are the key properties of 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide?
3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide has a molecular weight of 312.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide is sourced from PubChem (CID 75480219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).