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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Related Compounds

(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(2-pyridin-3-ylethylcarbamoyl)pyrrolidine-2-carboxamide
CID 16035087
(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(2-pyridin-4-ylethylcarbamoyl)pyrrolidine-2-carboxamide
CID 57878131
(1S,2S)-1-(dimethylcarbamoyl)-3-[(3S)-3-fluoropyrrolidin-1-yl]-3-oxo-1-[4-(pyridin-4-yl)phenyl]propan-2-aminium; 2,2,2-trifluoroacetate
CID 91895788
(2R)-N'-hydroxy-N-[(2R)-1-(methylamino)-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 44311349
(5Z)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
CID 5916342
1-Phenyl-8-pyridin-3-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9797246
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3-pyridin-3-ylpropyl)pyrrolidine-2-carboxamide
CID 9798937
3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457469
1-Phenyl-8-(1-(pyridin-4-ylmethyl)piperidine-4-carbonyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 49864795
(2R)-N-(4-Amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-(pyridin-4-ylmethyl)-pyrrolidine-2-carboxamide
CID 66644662
N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621295

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).