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

C15H17ClN4O3 — CID 91906306

IUPACN-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1Cl
InChIInChI=1S/C15H17ClN4O3/c1-23-12-6-5-10(8-11(12)16)17-14(21)9-20-15(22)19-7-3-2-4-13(19)18-20/h5-6,8H,2-4,7,9H2,1H3,(H,17,21)
InChIKeyLSBPCYOCMGRXGG-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.68
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 91906306) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID91906306
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1Cl
InChIInChI=1S/C15H17ClN4O3/c1-23-12-6-5-10(8-11(12)16)17-14(21)9-20-15(22)19-7-3-2-4-13(19)18-20/h5-6,8H,2-4,7,9H2,1H3,(H,17,21)
InChIKeyLSBPCYOCMGRXGG-UHFFFAOYSA-N
XLogP1.68
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 91906306) is N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is COc1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is LSBPCYOCMGRXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-23-12-6-5-10(8-11(12)16)17-14(21)9-20-15(22)19-7-3-2-4-13(19)18-20/h5-6,8H,2-4,7,9H2,1H3,(H,17,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 336.78 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 91906306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).