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

C16H21N5O2 — CID 91906296

IUPACN-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1
InChIInChI=1S/C16H21N5O2/c1-19(2)13-8-6-12(7-9-13)17-15(22)11-21-16(23)20-10-4-3-5-14(20)18-21/h6-9H,3-5,10-11H2,1-2H3,(H,17,22)
InChIKeyHAFZDVUIQGOTBT-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.09
Rot. Bonds4

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

N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 91906296) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID91906296
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1
InChIInChI=1S/C16H21N5O2/c1-19(2)13-8-6-12(7-9-13)17-15(22)11-21-16(23)20-10-4-3-5-14(20)18-21/h6-9H,3-5,10-11H2,1-2H3,(H,17,22)
InChIKeyHAFZDVUIQGOTBT-UHFFFAOYSA-N
XLogP1.09
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 91906296) is N-[4-(dimethylamino)phenyl]-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-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CN(C)c1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is HAFZDVUIQGOTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19(2)13-8-6-12(7-9-13)17-15(22)11-21-16(23)20-10-4-3-5-14(20)18-21/h6-9H,3-5,10-11H2,1-2H3,(H,17,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 91906296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).