2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide

C16H22N4O3 — CID 91828409

IUPAC2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)N(C)Cc2ccncc2C)C1=O
InChIInChI=1S/C16H22N4O3/c1-4-7-20-15(22)13(18-16(20)23)8-14(21)19(3)10-12-5-6-17-9-11(12)2/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,18,23)
InChIKeyDYQLCZASYLFQRO-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.07
Rot. Bonds6

About 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide

2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide (PubChem CID 91828409) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide
PubChem CID91828409
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide
SMILESCCCN1C(=O)NC(CC(=O)N(C)Cc2ccncc2C)C1=O
InChIInChI=1S/C16H22N4O3/c1-4-7-20-15(22)13(18-16(20)23)8-14(21)19(3)10-12-5-6-17-9-11(12)2/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,18,23)
InChIKeyDYQLCZASYLFQRO-UHFFFAOYSA-N
XLogP1.07
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide (CID 91828409) is 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide is CCCN1C(=O)NC(CC(=O)N(C)Cc2ccncc2C)C1=O.
What is the InChIKey of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
The InChIKey is DYQLCZASYLFQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-7-20-15(22)13(18-16(20)23)8-14(21)19(3)10-12-5-6-17-9-11(12)2/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,18,23).
What are the key properties of 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide?
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91828409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).