2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one

C10H13N3O — CID 116607098

IUPAC2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)c1cccnc1N
InChIInChI=1S/C10H13N3O/c1-2-4-8(11)9(14)7-5-3-6-13-10(7)12/h2-3,5-6,8H,1,4,11H2,(H2,12,13)
InChIKeyGPFFTFWJRIJEQS-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.75
Rot. Bonds4

About 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one

2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one (PubChem CID 116607098) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one
PubChem CID116607098
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)c1cccnc1N
InChIInChI=1S/C10H13N3O/c1-2-4-8(11)9(14)7-5-3-6-13-10(7)12/h2-3,5-6,8H,1,4,11H2,(H2,12,13)
InChIKeyGPFFTFWJRIJEQS-UHFFFAOYSA-N
XLogP0.75
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-3-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455369
3-amino-1-(2-amino-3-pyridinyl)butan-1-one
CID 116556036
2-amino-1-pyrazin-2-ylpent-4-en-1-one
CID 116606989
2-amino-1-(2,5-difluorophenyl)pent-4-en-1-one
CID 116606859
2-amino-1-(2,4-difluorophenyl)pent-4-en-1-one
CID 116606900
2-aminopyridine-3-carboxylate
CID 4116530
1-(2-amino-3-pyridinyl)-2-chloroethanone
CID 88729887
2-amino-1-(2,6-dimethoxyphenyl)pent-4-en-1-one
CID 116811614
1-(2-amino-3-pyridinyl)-3-ethylpent-2-en-1-one
CID 103458902
(2S)-2-amino-4-(2-amino-3-pyridinyl)butanoic acid
CID 169024941
5-amino-1-phenyloct-7-en-4-one
CID 116606858
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one?
The IUPAC name of 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one (CID 116607098) is 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one?
The canonical SMILES for 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one is C=CCC(N)C(=O)c1cccnc1N.
What is the InChIKey of 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one?
The InChIKey is GPFFTFWJRIJEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-4-8(11)9(14)7-5-3-6-13-10(7)12/h2-3,5-6,8H,1,4,11H2,(H2,12,13).
What are the key properties of 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one?
2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one has a molecular weight of 191.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-amino-3-pyridinyl)pent-4-en-1-one is sourced from PubChem (CID 116607098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).