N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H15ClN4O2 — CID 51130536

IUPACN-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cn12
InChIInChI=1S/C20H15ClN4O2/c1-13-23-24-19-11-10-14(12-25(13)19)20(26)22-16-7-3-5-9-18(16)27-17-8-4-2-6-15(17)21/h2-12H,1H3,(H,22,26)
InChIKeyGXZYTADYVWDUJJ-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.74
Rot. Bonds4

About N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 51130536) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID51130536
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCc1nnc2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cn12
InChIInChI=1S/C20H15ClN4O2/c1-13-23-24-19-11-10-14(12-25(13)19)20(26)22-16-7-3-5-9-18(16)27-17-8-4-2-6-15(17)21/h2-12H,1H3,(H,22,26)
InChIKeyGXZYTADYVWDUJJ-UHFFFAOYSA-N
XLogP4.74
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 51130536) is N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)cn12.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is GXZYTADYVWDUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-13-23-24-19-11-10-14(12-25(13)19)20(26)22-16-7-3-5-9-18(16)27-17-8-4-2-6-15(17)21/h2-12H,1H3,(H,22,26).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 51130536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).