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

C17H15ClN6O — CID 46937499

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12
InChIInChI=1S/C17H15ClN6O/c1-10-22-23-16-12(3-2-8-24(10)16)17(25)19-7-6-15-20-13-5-4-11(18)9-14(13)21-15/h2-5,8-9H,6-7H2,1H3,(H,19,25)(H,20,21)
InChIKeyCYQRSRXIUFFVAZ-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.54
Rot. Bonds4

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

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46937499) has the molecular formula C17H15ClN6O and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46937499
Molecular FormulaC17H15ClN6O
Molecular Weight354.80 g/mol
Exact Mass354.10
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCc1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12
InChIInChI=1S/C17H15ClN6O/c1-10-22-23-16-12(3-2-8-24(10)16)17(25)19-7-6-15-20-13-5-4-11(18)9-14(13)21-15/h2-5,8-9H,6-7H2,1H3,(H,19,25)(H,20,21)
InChIKeyCYQRSRXIUFFVAZ-UHFFFAOYSA-N
XLogP2.54
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46937499) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cc1nnc2c(C(=O)NCCc3nc4ccc(Cl)cc4[nH]3)cccn12.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is CYQRSRXIUFFVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O/c1-10-22-23-16-12(3-2-8-24(10)16)17(25)19-7-6-15-20-13-5-4-11(18)9-14(13)21-15/h2-5,8-9H,6-7H2,1H3,(H,19,25)(H,20,21).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46937499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).