prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate

C12H15N3O3 — CID 108574875

IUPACprop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccccn1
InChIInChI=1S/C12H15N3O3/c1-2-9-18-12(17)15-8-7-14-11(16)10-5-3-4-6-13-10/h2-6H,1,7-9H2,(H,14,16)(H,15,17)
InChIKeyOUEDJWQWSXBBSQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.72
Rot. Bonds6

About prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate

prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate (PubChem CID 108574875) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
PubChem CID108574875
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Nameprop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
SMILESC=CCOC(=O)NCCNC(=O)c1ccccn1
InChIInChI=1S/C12H15N3O3/c1-2-9-18-12(17)15-8-7-14-11(16)10-5-3-4-6-13-10/h2-6H,1,7-9H2,(H,14,16)(H,15,17)
InChIKeyOUEDJWQWSXBBSQ-UHFFFAOYSA-N
XLogP0.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate 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

tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
prop-2-enyl 4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 108562791
N-[2-[(2-formamidoacetyl)amino]ethyl]pyridine-2-carboxamide
CID 167083207
prop-2-enyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573667
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
CID 108574860
N-[2-[methyl-[2-(pyridine-2-carbonylamino)ethyl]amino]ethyl]pyridine-2-carboxamide
CID 15495474
N-[2-(thiophene-2-carbonylamino)ethyl]pyridine-2-carboxamide
CID 108542652
prop-2-enyl N-[2-(3-phenoxypropanoylamino)ethyl]carbamate
CID 108573558

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate?
The IUPAC name of prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate (CID 108574875) is prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate?
The canonical SMILES for prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate is C=CCOC(=O)NCCNC(=O)c1ccccn1.
What is the InChIKey of prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate?
The InChIKey is OUEDJWQWSXBBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-9-18-12(17)15-8-7-14-11(16)10-5-3-4-6-13-10/h2-6H,1,7-9H2,(H,14,16)(H,15,17).
What are the key properties of prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate?
prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate has a molecular weight of 249.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate is sourced from PubChem (CID 108574875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).