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

C18H17N7O — CID 169414430

IUPAC3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide
SMILESCc1nc2c(C)cc(-c3cccc(C(=O)Nc4cn(C)nn4)c3)cn2n1
InChIInChI=1S/C18H17N7O/c1-11-7-15(9-25-17(11)19-12(2)22-25)13-5-4-6-14(8-13)18(26)20-16-10-24(3)23-21-16/h4-10H,1-3H3,(H,20,26)
InChIKeyLAWBCPOYBJDSBR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.39
Rot. Bonds3

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

3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide (PubChem CID 169414430) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide
PubChem CID169414430
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide
SMILESCc1nc2c(C)cc(-c3cccc(C(=O)Nc4cn(C)nn4)c3)cn2n1
InChIInChI=1S/C18H17N7O/c1-11-7-15(9-25-17(11)19-12(2)22-25)13-5-4-6-14(8-13)18(26)20-16-10-24(3)23-21-16/h4-10H,1-3H3,(H,20,26)
InChIKeyLAWBCPOYBJDSBR-UHFFFAOYSA-N
XLogP2.39
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide
CID 169420008
2,8-dimethyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126451324
3-fluoro-5-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)-N-(1-methyltriazol-4-yl)benzamide
CID 169416197
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
3-methoxy-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045604
2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372
2-methyl-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 138588919
8-(3-chlorophenyl)-2-methyl-N-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 70231516
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
N-(1-methyltriazol-4-yl)cyclobutene-1-carboxamide
CID 130649624
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276

Frequently Asked Questions

What is the IUPAC name of 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide (CID 169414430) is 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide is Cc1nc2c(C)cc(-c3cccc(C(=O)Nc4cn(C)nn4)c3)cn2n1.
What is the InChIKey of 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide?
The InChIKey is LAWBCPOYBJDSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-11-7-15(9-25-17(11)19-12(2)22-25)13-5-4-6-14(8-13)18(26)20-16-10-24(3)23-21-16/h4-10H,1-3H3,(H,20,26).
What are the key properties of 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide?
3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide has a molecular weight of 347.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 169414430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).