N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide

C18H18N4O4 — CID 31438215

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc[nH]c2=O)C1=O
InChIInChI=1S/C18H18N4O4/c1-18(10-9-12-6-3-2-4-7-12)16(25)22(17(26)20-18)21-15(24)13-8-5-11-19-14(13)23/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,26)(H,21,24)/t18-/m0/s1
InChIKeyJYMDBUIRUDLLDF-SFHVURJKSA-N
MW354.37 g/mol
LogP0.96
Rot. Bonds5

About N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 31438215) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID31438215
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc[nH]c2=O)C1=O
InChIInChI=1S/C18H18N4O4/c1-18(10-9-12-6-3-2-4-7-12)16(25)22(17(26)20-18)21-15(24)13-8-5-11-19-14(13)23/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,26)(H,21,24)/t18-/m0/s1
InChIKeyJYMDBUIRUDLLDF-SFHVURJKSA-N
XLogP0.96
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indazole-3-carboxamide
CID 31438081
3-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]thiophene-2-carboxamide
CID 42920177
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-pyrazole-3-carboxamide
CID 60521215
2-(1H-indol-3-yl)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 31435242
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-methylsulfonylbenzamide
CID 42920186
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
5-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-phenyltriazole-4-carboxamide
CID 42920191
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 40897872

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 31438215) is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide is C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc[nH]c2=O)C1=O.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JYMDBUIRUDLLDF-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-18(10-9-12-6-3-2-4-7-12)16(25)22(17(26)20-18)21-15(24)13-8-5-11-19-14(13)23/h2-8,11H,9-10H2,1H3,(H,19,23)(H,20,26)(H,21,24)/t18-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 31438215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).