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

C24H22N6O2 — CID 58074726

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1nnc2c(C(=O)NCCc3nc4ccccc4[nH]3)cc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C24H22N6O2/c1-15-7-9-16(10-8-15)17-13-18(22-28-29-24(32-2)30(22)14-17)23(31)25-12-11-21-26-19-5-3-4-6-20(19)27-21/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyDKACASKHNSSBBY-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.56
Rot. Bonds6

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 58074726) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID58074726
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCOc1nnc2c(C(=O)NCCc3nc4ccccc4[nH]3)cc(-c3ccc(C)cc3)cn12
InChIInChI=1S/C24H22N6O2/c1-15-7-9-16(10-8-15)17-13-18(22-28-29-24(32-2)30(22)14-17)23(31)25-12-11-21-26-19-5-3-4-6-20(19)27-21/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)(H,26,27)
InChIKeyDKACASKHNSSBBY-UHFFFAOYSA-N
XLogP3.56
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3,6-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 91304580
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18277864
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52693788
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 21008933
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
CID 50977313
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 46937550
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 58074726) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is COc1nnc2c(C(=O)NCCc3nc4ccccc4[nH]3)cc(-c3ccc(C)cc3)cn12.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is DKACASKHNSSBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15-7-9-16(10-8-15)17-13-18(22-28-29-24(32-2)30(22)14-17)23(31)25-12-11-21-26-19-5-3-4-6-20(19)27-21/h3-10,13-14H,11-12H2,1-2H3,(H,25,31)(H,26,27).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-methoxy-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 58074726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).