3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide

C22H20N4O3 — CID 122169569

IUPAC3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCC1NC(=O)N(c2cccc3ccccc23)C1=O)NCc1ccccn1
InChIInChI=1S/C22H20N4O3/c27-20(24-14-16-8-3-4-13-23-16)12-11-18-21(28)26(22(29)25-18)19-10-5-7-15-6-1-2-9-17(15)19/h1-10,13,18H,11-12,14H2,(H,24,27)(H,25,29)
InChIKeyOCPFYKAAGCTCSY-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.76
Rot. Bonds6

About 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide

3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 122169569) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID122169569
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCC1NC(=O)N(c2cccc3ccccc23)C1=O)NCc1ccccn1
InChIInChI=1S/C22H20N4O3/c27-20(24-14-16-8-3-4-13-23-16)12-11-18-21(28)26(22(29)25-18)19-10-5-7-15-6-1-2-9-17(15)19/h1-10,13,18H,11-12,14H2,(H,24,27)(H,25,29)
InChIKeyOCPFYKAAGCTCSY-UHFFFAOYSA-N
XLogP2.76
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124841892
3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 110205419
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850117
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 124853948
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850987
2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91821591
2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 91641286
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110685355
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 113202428
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 17477968
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide (CID 122169569) is 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide is O=C(CCC1NC(=O)N(c2cccc3ccccc23)C1=O)NCc1ccccn1.
What is the InChIKey of 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is OCPFYKAAGCTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-20(24-14-16-8-3-4-13-23-16)12-11-18-21(28)26(22(29)25-18)19-10-5-7-15-6-1-2-9-17(15)19/h1-10,13,18H,11-12,14H2,(H,24,27)(H,25,29).
What are the key properties of 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide?
3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 122169569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).