N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide

C27H23N5O2 — CID 53234587

IUPACN-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
SMILESCOc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1
InChIInChI=1S/C27H23N5O2/c1-34-24-10-6-5-9-23(24)29-27-30-25-16-13-21(18-32(25)31-27)20-11-14-22(15-12-20)28-26(33)17-19-7-3-2-4-8-19/h2-16,18H,17H2,1H3,(H,28,33)(H,29,31)
InChIKeyDAKDAHXOZZPTEN-UHFFFAOYSA-N
MW449.51 g/mol
LogP5.33
Rot. Bonds7

About N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide

N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide (PubChem CID 53234587) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
PubChem CID53234587
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC NameN-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide
SMILESCOc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1
InChIInChI=1S/C27H23N5O2/c1-34-24-10-6-5-9-23(24)29-27-30-25-16-13-21(18-32(25)31-27)20-11-14-22(15-12-20)28-26(33)17-19-7-3-2-4-8-19/h2-16,18H,17H2,1H3,(H,28,33)(H,29,31)
InChIKeyDAKDAHXOZZPTEN-UHFFFAOYSA-N
XLogP5.33
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide (CID 53234587) is N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide is COc1ccccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccccc4)cc3)cn2n1.
What is the InChIKey of N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
The InChIKey is DAKDAHXOZZPTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-34-24-10-6-5-9-23(24)29-27-30-25-16-13-21(18-32(25)31-27)20-11-14-22(15-12-20)28-26(33)17-19-7-3-2-4-8-19/h2-16,18H,17H2,1H3,(H,28,33)(H,29,31).
What are the key properties of N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide?
N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide has a molecular weight of 449.51 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 53234587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).