1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one

C15H15N5O — CID 123808337

IUPAC1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
SMILES[H]/N=C(/c1cc(-c2cccnc2)ncc1N)N1CCCC1=O
InChIInChI=1S/C15H15N5O/c16-12-9-19-13(10-3-1-5-18-8-10)7-11(12)15(17)20-6-2-4-14(20)21/h1,3,5,7-9,17H,2,4,6,16H2/b17-15-
InChIKeyXYTQFYCGROEPPU-ICFOKQHNSA-N
MW281.32 g/mol
LogP1.67
Rot. Bonds2

About 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one

1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one (PubChem CID 123808337) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
PubChem CID123808337
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one
SMILES[H]/N=C(/c1cc(-c2cccnc2)ncc1N)N1CCCC1=O
InChIInChI=1S/C15H15N5O/c16-12-9-19-13(10-3-1-5-18-8-10)7-11(12)15(17)20-6-2-4-14(20)21/h1,3,5,7-9,17H,2,4,6,16H2/b17-15-
InChIKeyXYTQFYCGROEPPU-ICFOKQHNSA-N
XLogP1.67
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
CID 144529536
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
(4R)-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methyl-2-pyridinyl]azepan-4-amine
CID 144529562
1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-bromo-2-pyridinyl]azepan-4-amine
CID 123512302
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
CID 144529500
1-[4,5-bis(2-oxopiperidin-1-yl)-2-pyridin-3-ylphenyl]piperidin-2-one
CID 172517182
[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite
CID 144529612
4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
CID 123860640
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
5-(2-pyridin-3-yl-4-pyridinyl)pyrazin-2-amine
CID 174562607
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one (CID 123808337) is 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one is [H]/N=C(/c1cc(-c2cccnc2)ncc1N)N1CCCC1=O.
What is the InChIKey of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one?
The InChIKey is XYTQFYCGROEPPU-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H15N5O/c16-12-9-19-13(10-3-1-5-18-8-10)7-11(12)15(17)20-6-2-4-14(20)21/h1,3,5,7-9,17H,2,4,6,16H2/b17-15-.
What are the key properties of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one?
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one has a molecular weight of 281.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)pyrrolidin-2-one is sourced from PubChem (CID 123808337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).