1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one

C11H16N4O — CID 104601207

IUPAC1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one
SMILESNN1CCCN(CCc2ccccn2)C1=O
InChIInChI=1S/C11H16N4O/c12-15-8-3-7-14(11(15)16)9-5-10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9,12H2
InChIKeyNTEIIDVTCMPALI-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.63
Rot. Bonds3

About 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one

1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one (PubChem CID 104601207) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one
PubChem CID104601207
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one
SMILESNN1CCCN(CCc2ccccn2)C1=O
InChIInChI=1S/C11H16N4O/c12-15-8-3-7-14(11(15)16)9-5-10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9,12H2
InChIKeyNTEIIDVTCMPALI-UHFFFAOYSA-N
XLogP0.63
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidin-2-one
CID 66000463
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-methyl-3-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]imidazolidin-2-one
CID 56781047
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
[5-oxo-1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673732
1-amino-3-[2-(4-methoxyphenoxy)ethyl]-1,3-diazinan-2-one
CID 104601295
1-(2-pyridin-2-ylethyl)diazinane
CID 130826026
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
2-[1-(2-pyridin-2-ylethyl)-2,3-dihydroindol-3-yl]ethanamine
CID 63236194
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
CID 96567368

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one (CID 104601207) is 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one is NN1CCCN(CCc2ccccn2)C1=O.
What is the InChIKey of 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one?
The InChIKey is NTEIIDVTCMPALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-15-8-3-7-14(11(15)16)9-5-10-4-1-2-6-13-10/h1-2,4,6H,3,5,7-9,12H2.
What are the key properties of 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one?
1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-pyridin-2-ylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 104601207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).