N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride

C12H16ClN5O3 — CID 119516611

IUPACN-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C12H15N5O3.ClH/c1-12(2)10(19)16-11(20)17(12)6-9(18)15-7-3-4-8(13)14-5-7;/h3-5H,6H2,1-2H3,(H2,13,14)(H,15,18)(H,16,19,20);1H
InChIKeyVNBCWYKWWYIKMS-UHFFFAOYSA-N
MW313.75 g/mol
LogP0.35
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride

N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride (PubChem CID 119516611) has the molecular formula C12H16ClN5O3 and a molecular weight of 313.75 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride
PubChem CID119516611
Molecular FormulaC12H16ClN5O3
Molecular Weight313.75 g/mol
Exact Mass313.09
IUPAC NameN-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride
SMILESCC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(N)nc1.Cl
InChIInChI=1S/C12H15N5O3.ClH/c1-12(2)10(19)16-11(20)17(12)6-9(18)15-7-3-4-8(13)14-5-7;/h3-5H,6H2,1-2H3,(H2,13,14)(H,15,18)(H,16,19,20);1H
InChIKeyVNBCWYKWWYIKMS-UHFFFAOYSA-N
XLogP0.35
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride (CID 119516611) is N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride is CC1(C)C(=O)NC(=O)N1CC(=O)Nc1ccc(N)nc1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
The InChIKey is VNBCWYKWWYIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3.ClH/c1-12(2)10(19)16-11(20)17(12)6-9(18)15-7-3-4-8(13)14-5-7;/h3-5H,6H2,1-2H3,(H2,13,14)(H,15,18)(H,16,19,20);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride?
N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride has a molecular weight of 313.75 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119516611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).