N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C18H18N6O — CID 91304580

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2nnc(C)n2c1
InChIInChI=1S/C18H18N6O/c1-11-9-13(17-23-22-12(2)24(17)10-11)18(25)19-8-7-16-20-14-5-3-4-6-15(14)21-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyRCUTVRWUNCWCGM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.19
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 91304580) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID91304580
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2nnc(C)n2c1
InChIInChI=1S/C18H18N6O/c1-11-9-13(17-23-22-12(2)24(17)10-11)18(25)19-8-7-16-20-14-5-3-4-6-15(14)21-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyRCUTVRWUNCWCGM-UHFFFAOYSA-N
XLogP2.19
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 58074726
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
CID 50977313
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-bromo-2-iodobenzamide
CID 34258206
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 91304580) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2nnc(C)n2c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is RCUTVRWUNCWCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11-9-13(17-23-22-12(2)24(17)10-11)18(25)19-8-7-16-20-14-5-3-4-6-15(14)21-16/h3-6,9-10H,7-8H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 91304580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).