1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone

C10H13N3O — CID 116589674

IUPAC1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1cnccc1N
InChIInChI=1S/C10H13N3O/c1-2-4-12-7-10(14)8-6-13-5-3-9(8)11/h2-3,5-6,12H,1,4,7H2,(H2,11,13)
InChIKeyRTKHVHVOHMJOHC-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.62
Rot. Bonds5

About 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone

1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone (PubChem CID 116589674) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone
PubChem CID116589674
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)c1cnccc1N
InChIInChI=1S/C10H13N3O/c1-2-4-12-7-10(14)8-6-13-5-3-9(8)11/h2-3,5-6,12H,1,4,7H2,(H2,11,13)
InChIKeyRTKHVHVOHMJOHC-UHFFFAOYSA-N
XLogP0.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.62
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'}

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Related Compounds

1-(3-acetyl-2-aminophenyl)-2-(prop-2-enylamino)ethanone
CID 70442143
1-(2-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 116589872
1-(2,4-difluorophenyl)-2-(prop-2-enylamino)ethanone
CID 116589743
2-(2-aminoethoxy)-1-(4-amino-3-pyridinyl)ethanone
CID 116590825
N-methyl-2-(prop-2-enylamino)-N-pyridin-4-ylacetamide
CID 106934945
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
1-(4-fluorophenyl)-2-(prop-2-enylamino)ethanone
CID 15982679
1-(4-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458733
1-(3-methyltriazol-4-yl)-2-(prop-2-enylamino)ethanone
CID 114692177
1-(2-methoxy-3,4-dimethylphenyl)-2-(prop-2-enylamino)ethanone
CID 103434889
N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
CID 79286305
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone (CID 116589674) is 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)c1cnccc1N.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone?
The InChIKey is RTKHVHVOHMJOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-4-12-7-10(14)8-6-13-5-3-9(8)11/h2-3,5-6,12H,1,4,7H2,(H2,11,13).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone?
1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone has a molecular weight of 191.23 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 116589674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).