2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide

C20H19ClN4O — CID 91889060

IUPAC2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C20H19ClN4O/c21-16-9-7-14(8-10-16)12-19(26)22-17-5-3-4-15(13-17)20-24-23-18-6-1-2-11-25(18)20/h3-5,7-10,13H,1-2,6,11-12H2,(H,22,26)
InChIKeyZVURSSDCQLOESH-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide

2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 91889060) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
PubChem CID91889060
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C20H19ClN4O/c21-16-9-7-14(8-10-16)12-19(26)22-17-5-3-4-15(13-17)20-24-23-18-6-1-2-11-25(18)20/h3-5,7-10,13H,1-2,6,11-12H2,(H,22,26)
InChIKeyZVURSSDCQLOESH-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (CID 91889060) is 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nnc3n2CCCC3)c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is ZVURSSDCQLOESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-16-9-7-14(8-10-16)12-19(26)22-17-5-3-4-15(13-17)20-24-23-18-6-1-2-11-25(18)20/h3-5,7-10,13H,1-2,6,11-12H2,(H,22,26).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 91889060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).