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

C16H28N6O3 — CID 55793943

IUPACN-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C16H28N6O3/c1-16(2,3)19-13(23)11-18-14(24)17-8-6-10-22-15(25)21-9-5-4-7-12(21)20-22/h4-11H2,1-3H3,(H,19,23)(H2,17,18,24)
InChIKeyDVXKFFFDQKMNHU-UHFFFAOYSA-N
MW352.44 g/mol
LogP-0.01
Rot. Bonds6

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

N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide (PubChem CID 55793943) has the molecular formula C16H28N6O3 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide
PubChem CID55793943
Molecular FormulaC16H28N6O3
Molecular Weight352.44 g/mol
Exact Mass352.22
IUPAC NameN-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide
SMILESCC(C)(C)NC(=O)CNC(=O)NCCCn1nc2n(c1=O)CCCC2
InChIInChI=1S/C16H28N6O3/c1-16(2,3)19-13(23)11-18-14(24)17-8-6-10-22-15(25)21-9-5-4-7-12(21)20-22/h4-11H2,1-3H3,(H,19,23)(H2,17,18,24)
InChIKeyDVXKFFFDQKMNHU-UHFFFAOYSA-N
XLogP-0.01
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide (CID 55793943) is N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide is CC(C)(C)NC(=O)CNC(=O)NCCCn1nc2n(c1=O)CCCC2.
What is the InChIKey of N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide?
The InChIKey is DVXKFFFDQKMNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O3/c1-16(2,3)19-13(23)11-18-14(24)17-8-6-10-22-15(25)21-9-5-4-7-12(21)20-22/h4-11H2,1-3H3,(H,19,23)(H2,17,18,24).
What are the key properties of N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide?
N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide has a molecular weight of 352.44 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylcarbamoylamino]acetamide is sourced from PubChem (CID 55793943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).