N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide

C22H25N5O4 — CID 31482332

IUPACN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(N3CCOCC3)ccn2)C1=O
InChIInChI=1S/C22H25N5O4/c1-22(9-7-16-5-3-2-4-6-16)20(29)27(21(30)24-22)25-19(28)18-15-17(8-10-23-18)26-11-13-31-14-12-26/h2-6,8,10,15H,7,9,11-14H2,1H3,(H,24,30)(H,25,28)/t22-/m0/s1
InChIKeyAOBXKIXMBXYIMC-QFIPXVFZSA-N
MW423.47 g/mol
LogP1.51
Rot. Bonds6

About N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 31482332) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID31482332
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESC[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(N3CCOCC3)ccn2)C1=O
InChIInChI=1S/C22H25N5O4/c1-22(9-7-16-5-3-2-4-6-16)20(29)27(21(30)24-22)25-19(28)18-15-17(8-10-23-18)26-11-13-31-14-12-26/h2-6,8,10,15H,7,9,11-14H2,1H3,(H,24,30)(H,25,28)/t22-/m0/s1
InChIKeyAOBXKIXMBXYIMC-QFIPXVFZSA-N
XLogP1.51
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109206585
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 51935433
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
7-methyl-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 46655285
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 31438215
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 46655208
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-piperidin-1-ylacetamide
CID 18087188

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 31482332) is N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide is C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2cc(N3CCOCC3)ccn2)C1=O.
What is the InChIKey of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is AOBXKIXMBXYIMC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-22(9-7-16-5-3-2-4-6-16)20(29)27(21(30)24-22)25-19(28)18-15-17(8-10-23-18)26-11-13-31-14-12-26/h2-6,8,10,15H,7,9,11-14H2,1H3,(H,24,30)(H,25,28)/t22-/m0/s1.
What are the key properties of N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 31482332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).