N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide

C10H13N3O — CID 130955914

IUPACN-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
SMILESC=C[C@H](N)c1ccc(NC(C)=O)nc1
InChIInChI=1S/C10H13N3O/c1-3-9(11)8-4-5-10(12-6-8)13-7(2)14/h3-6,9H,1,11H2,2H3,(H,12,13,14)/t9-/m0/s1
InChIKeyYJIKUIJAHOVETG-VIFPVBQESA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds3

About N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide

N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide (PubChem CID 130955914) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
PubChem CID130955914
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
SMILESC=C[C@H](N)c1ccc(NC(C)=O)nc1
InChIInChI=1S/C10H13N3O/c1-3-9(11)8-4-5-10(12-6-8)13-7(2)14/h3-6,9H,1,11H2,2H3,(H,12,13,14)/t9-/m0/s1
InChIKeyYJIKUIJAHOVETG-VIFPVBQESA-N
XLogP1.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(1R)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide
CID 55274663
N-[5-(1-methoxyethyl)-2-pyridinyl]acetamide
CID 163950546
N-[5-[(1S)-1-hydroxypropyl]-2-pyridinyl]acetamide
CID 54369170
N-(5-sulfanyl-2-pyridinyl)acetamide
CID 67482224
N-(5-dimethylphosphoryl-2-pyridinyl)acetamide
CID 59649348
1-(6-ethoxy-3-pyridinyl)prop-2-en-1-amine
CID 55294382
2-amino-N-(5-propan-2-yl-2-pyridinyl)acetamide
CID 167366169
(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 130664334
methyl 4-[(1R)-1-aminoprop-2-enyl]benzoate;hydrochloride
CID 171212672
6-acetamidopyridine-3-sulfonic acid
CID 3292774
N-[5-[(E)-2-(6-formamido-3-pyridinyl)ethenyl]-2-pyridinyl]acetamide
CID 134421519
N-[5-(2-hydroxyacetyl)-2-pyridinyl]acetamide
CID 15512450

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide (CID 130955914) is N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide is C=C[C@H](N)c1ccc(NC(C)=O)nc1.
What is the InChIKey of N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide?
The InChIKey is YJIKUIJAHOVETG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13N3O/c1-3-9(11)8-4-5-10(12-6-8)13-7(2)14/h3-6,9H,1,11H2,2H3,(H,12,13,14)/t9-/m0/s1.
What are the key properties of N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide?
N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide has a molecular weight of 191.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S)-1-aminoprop-2-enyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 130955914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).