N-pyrimidin-2-ylprop-2-enamide

C7H7N3O — CID 43616335

IUPACN-pyrimidin-2-ylprop-2-enamide
SMILESC=CC(=O)Nc1ncccn1
InChIInChI=1S/C7H7N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h2-5H,1H2,(H,8,9,10,11)
InChIKeyFGEDRFMNXTYBSY-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.60
Rot. Bonds2

About N-pyrimidin-2-ylprop-2-enamide

N-pyrimidin-2-ylprop-2-enamide (PubChem CID 43616335) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is N-pyrimidin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-pyrimidin-2-ylprop-2-enamide
PubChem CID43616335
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC NameN-pyrimidin-2-ylprop-2-enamide
SMILESC=CC(=O)Nc1ncccn1
InChIInChI=1S/C7H7N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h2-5H,1H2,(H,8,9,10,11)
InChIKeyFGEDRFMNXTYBSY-UHFFFAOYSA-N
XLogP0.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-pyrimidin-2-ylprop-2-enamide 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-pyrimidin-2-ylprop-2-enamide?
The IUPAC name of N-pyrimidin-2-ylprop-2-enamide (CID 43616335) is N-pyrimidin-2-ylprop-2-enamide.
What is the SMILES notation for N-pyrimidin-2-ylprop-2-enamide?
The canonical SMILES for N-pyrimidin-2-ylprop-2-enamide is C=CC(=O)Nc1ncccn1.
What is the InChIKey of N-pyrimidin-2-ylprop-2-enamide?
The InChIKey is FGEDRFMNXTYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-6(11)10-7-8-4-3-5-9-7/h2-5H,1H2,(H,8,9,10,11).
What are the key properties of N-pyrimidin-2-ylprop-2-enamide?
N-pyrimidin-2-ylprop-2-enamide has a molecular weight of 149.15 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-2-ylprop-2-enamide is sourced from PubChem (CID 43616335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).