N-(3-methoxy-2-pyridinyl)prop-2-ynamide

C9H8N2O2 — CID 131155873

IUPACN-(3-methoxy-2-pyridinyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ncccc1OC
InChIInChI=1S/C9H8N2O2/c1-3-8(12)11-9-7(13-2)5-4-6-10-9/h1,4-6H,2H3,(H,10,11,12)
InChIKeyZHYAOTXICHEMQN-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.66
Rot. Bonds2

About N-(3-methoxy-2-pyridinyl)prop-2-ynamide

N-(3-methoxy-2-pyridinyl)prop-2-ynamide (PubChem CID 131155873) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(3-methoxy-2-pyridinyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(3-methoxy-2-pyridinyl)prop-2-ynamide
PubChem CID131155873
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC NameN-(3-methoxy-2-pyridinyl)prop-2-ynamide
SMILESC#CC(=O)Nc1ncccc1OC
InChIInChI=1S/C9H8N2O2/c1-3-8(12)11-9-7(13-2)5-4-6-10-9/h1,4-6H,2H3,(H,10,11,12)
InChIKeyZHYAOTXICHEMQN-UHFFFAOYSA-N
XLogP0.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-methoxy-2-pyridinyl)prop-2-ynamide 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

N-(3-methoxy-2-pyridinyl)azetidine-3-carboxamide
CID 142435308
N-but-3-yn-2-yl-3-methoxypyridin-2-amine
CID 114418045
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
2-(2-chlorophenoxy)-N-(3-methoxy-2-pyridinyl)propanamide
CID 51107977
N'-(3-hydroxy-2-pyridinyl)-N-(2-methoxyphenyl)oxamide
CID 11087413
ethyl N-[(3-methoxy-2-pyridinyl)carbamothioyl]carbamate
CID 11379829
N-(2,2-dimethylpropyl)-2-[(3-methoxy-2-pyridinyl)carbamoylamino]-2-methylpropanamide
CID 119052985
N-[2-[(3-methoxy-2-pyridinyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 51102871
N-(3-hydroxy-2-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 18109430
tert-butyl N-[3-[(3-methoxy-2-pyridinyl)amino]propyl]carbamate
CID 114518163
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
3-(prop-2-ynoylamino)pyridine-2-carboxylic acid
CID 104739879

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-2-pyridinyl)prop-2-ynamide?
The IUPAC name of N-(3-methoxy-2-pyridinyl)prop-2-ynamide (CID 131155873) is N-(3-methoxy-2-pyridinyl)prop-2-ynamide.
What is the SMILES notation for N-(3-methoxy-2-pyridinyl)prop-2-ynamide?
The canonical SMILES for N-(3-methoxy-2-pyridinyl)prop-2-ynamide is C#CC(=O)Nc1ncccc1OC.
What is the InChIKey of N-(3-methoxy-2-pyridinyl)prop-2-ynamide?
The InChIKey is ZHYAOTXICHEMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-3-8(12)11-9-7(13-2)5-4-6-10-9/h1,4-6H,2H3,(H,10,11,12).
What are the key properties of N-(3-methoxy-2-pyridinyl)prop-2-ynamide?
N-(3-methoxy-2-pyridinyl)prop-2-ynamide has a molecular weight of 176.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-pyridinyl)prop-2-ynamide is sourced from PubChem (CID 131155873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).