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

C15H16N6O — CID 144529536

IUPAC1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
SMILES[H]/N=C(/c1cc(-c2cccnc2)ncc1N)N1CCN(C)C1=O
InChIInChI=1S/C15H16N6O/c1-20-5-6-21(15(20)22)14(17)11-7-13(19-9-12(11)16)10-3-2-4-18-8-10/h2-4,7-9,17H,5-6,16H2,1H3/b17-14-
InChIKeyOUGRAEYQHKGPKS-VKAVYKQESA-N
MW296.33 g/mol
LogP1.42
Rot. Bonds2

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

1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one (PubChem CID 144529536) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
PubChem CID144529536
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one
SMILES[H]/N=C(/c1cc(-c2cccnc2)ncc1N)N1CCN(C)C1=O
InChIInChI=1S/C15H16N6O/c1-20-5-6-21(15(20)22)14(17)11-7-13(19-9-12(11)16)10-3-2-4-18-8-10/h2-4,7-9,17H,5-6,16H2,1H3/b17-14-
InChIKeyOUGRAEYQHKGPKS-VKAVYKQESA-N
XLogP1.42
TPSA99.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.42
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)pyrrolidin-2-one
CID 123808337
(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-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
4-amino-1-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]piperidine-4-carbaldehyde;N-methylmethanamine
CID 144529500
[(4-ethanimidoyl-6-pyridin-3-yl-3-pyridinyl)amino] thiohypofluorite
CID 144529612
5-methoxy-2-pyridin-3-ylpyridine-4-carboxylic acid
CID 116864813
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
5-methyl-2-pyridin-3-ylpyridine-4-carbonyl chloride
CID 163503116
4-(2-fluorobenzenecarboximidoyl)-6-(5-pyrrolidin-1-yl-3-pyridinyl)pyridin-3-amine
CID 123860640
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one (CID 144529536) is 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one is [H]/N=C(/c1cc(-c2cccnc2)ncc1N)N1CCN(C)C1=O.
What is the InChIKey of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one?
The InChIKey is OUGRAEYQHKGPKS-VKAVYKQESA-N. The full InChI is InChI=1S/C15H16N6O/c1-20-5-6-21(15(20)22)14(17)11-7-13(19-9-12(11)16)10-3-2-4-18-8-10/h2-4,7-9,17H,5-6,16H2,1H3/b17-14-.
What are the key properties of 1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one?
1-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-3-methylimidazolidin-2-one has a molecular weight of 296.33 g/mol, XLogP of 1.42, 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)-3-methylimidazolidin-2-one is sourced from PubChem (CID 144529536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).