N-(5-cyano-2-methyl-3-pyridinyl)acetamide

C9H9N3O — CID 86280283

IUPACN-(5-cyano-2-methyl-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C#N)cnc1C
InChIInChI=1S/C9H9N3O/c1-6-9(12-7(2)13)3-8(4-10)5-11-6/h3,5H,1-2H3,(H,12,13)
InChIKeyUZDRNZWIJYQWBB-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.22
Rot. Bonds1

About N-(5-cyano-2-methyl-3-pyridinyl)acetamide

N-(5-cyano-2-methyl-3-pyridinyl)acetamide (PubChem CID 86280283) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(5-cyano-2-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-cyano-2-methyl-3-pyridinyl)acetamide
PubChem CID86280283
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-(5-cyano-2-methyl-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(C#N)cnc1C
InChIInChI=1S/C9H9N3O/c1-6-9(12-7(2)13)3-8(4-10)5-11-6/h3,5H,1-2H3,(H,12,13)
InChIKeyUZDRNZWIJYQWBB-UHFFFAOYSA-N
XLogP1.22
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-cyano-2-methyl-3-pyridinyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 4197
CID 4197
CID 79978
CID 79978
CID 25141337
CID 25141337
CID 7060669
CID 7060669
CID 2053858
CID 2053858
CID 825474
CID 825474
CID 1949535
CID 1949535
CID 683950
CID 683950
CID 43616243
CID 43616243
CID 79448
CID 79448
CID 5084090
CID 5084090
CID 5865796
CID 5865796

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-(5-cyano-2-methyl-3-pyridinyl)acetamide (CID 86280283) is N-(5-cyano-2-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-(5-cyano-2-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-(5-cyano-2-methyl-3-pyridinyl)acetamide is CC(=O)Nc1cc(C#N)cnc1C.
What is the InChIKey of N-(5-cyano-2-methyl-3-pyridinyl)acetamide?
The InChIKey is UZDRNZWIJYQWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-6-9(12-7(2)13)3-8(4-10)5-11-6/h3,5H,1-2H3,(H,12,13).
What are the key properties of N-(5-cyano-2-methyl-3-pyridinyl)acetamide?
N-(5-cyano-2-methyl-3-pyridinyl)acetamide has a molecular weight of 175.19 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 86280283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).