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

C20H19ClN4O — CID 91889080

IUPAC2-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C20H19ClN4O/c21-17-9-2-1-6-14(17)13-19(26)22-16-8-5-7-15(12-16)20-24-23-18-10-3-4-11-25(18)20/h1-2,5-9,12H,3-4,10-11,13H2,(H,22,26)
InChIKeyNDHXIAXGYAUQOG-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.12
Rot. Bonds4

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

2-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (PubChem CID 91889080) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
PubChem CID91889080
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name2-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
SMILESO=C(Cc1ccccc1Cl)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C20H19ClN4O/c21-17-9-2-1-6-14(17)13-19(26)22-16-8-5-7-15(12-16)20-24-23-18-10-3-4-11-25(18)20/h1-2,5-9,12H,3-4,10-11,13H2,(H,22,26)
InChIKeyNDHXIAXGYAUQOG-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-(2-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-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide (CID 91889080) is 2-(2-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-(2-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-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide is O=C(Cc1ccccc1Cl)Nc1cccc(-c2nnc3n2CCCC3)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
The InChIKey is NDHXIAXGYAUQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-17-9-2-1-6-14(17)13-19(26)22-16-8-5-7-15(12-16)20-24-23-18-10-3-4-11-25(18)20/h1-2,5-9,12H,3-4,10-11,13H2,(H,22,26).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide?
2-(2-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-(2-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 91889080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).