N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide

C16H15N5O2 — CID 112527276

IUPACN-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)n2ncc3cc(N)ccc32)ccn1
InChIInChI=1S/C16H15N5O2/c1-10(22)19-9-14-7-11(4-5-18-14)16(23)21-15-3-2-13(17)6-12(15)8-20-21/h2-8H,9,17H2,1H3,(H,19,22)
InChIKeyXPQAISUQKBWYJE-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.34
Rot. Bonds3

About N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide

N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide (PubChem CID 112527276) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide
PubChem CID112527276
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C(=O)n2ncc3cc(N)ccc32)ccn1
InChIInChI=1S/C16H15N5O2/c1-10(22)19-9-14-7-11(4-5-18-14)16(23)21-15-3-2-13(17)6-12(15)8-20-21/h2-8H,9,17H2,1H3,(H,19,22)
InChIKeyXPQAISUQKBWYJE-UHFFFAOYSA-N
XLogP1.34
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]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-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide (CID 112527276) is N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cc(C(=O)n2ncc3cc(N)ccc32)ccn1.
What is the InChIKey of N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
The InChIKey is XPQAISUQKBWYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10(22)19-9-14-7-11(4-5-18-14)16(23)21-15-3-2-13(17)6-12(15)8-20-21/h2-8H,9,17H2,1H3,(H,19,22).
What are the key properties of N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide?
N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide has a molecular weight of 309.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 112527276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).