(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide

C24H34N4O3 — CID 10224339

IUPAC(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccccn1)[C@H](CC1CCCCC1)N1C(=O)N[C@@H](CC2CCCCC2)C1=O
InChIInChI=1S/C24H34N4O3/c29-22(27-21-13-7-8-14-25-21)20(16-18-11-5-2-6-12-18)28-23(30)19(26-24(28)31)15-17-9-3-1-4-10-17/h7-8,13-14,17-20H,1-6,9-12,15-16H2,(H,26,31)(H,25,27,29)/t19-,20-/m0/s1
InChIKeyONRUYMVZUXQLRF-PMACEKPBSA-N
MW426.56 g/mol
LogP4.25
Rot. Bonds7

About (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide

(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide (PubChem CID 10224339) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
PubChem CID10224339
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
SMILESO=C(Nc1ccccn1)[C@H](CC1CCCCC1)N1C(=O)N[C@@H](CC2CCCCC2)C1=O
InChIInChI=1S/C24H34N4O3/c29-22(27-21-13-7-8-14-25-21)20(16-18-11-5-2-6-12-18)28-23(30)19(26-24(28)31)15-17-9-3-1-4-10-17/h7-8,13-14,17-20H,1-6,9-12,15-16H2,(H,26,31)(H,25,27,29)/t19-,20-/m0/s1
InChIKeyONRUYMVZUXQLRF-PMACEKPBSA-N
XLogP4.25
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.25
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

(2S)-3-cyclohexyl-2-[4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide
CID 67483704
3-cyclopentyl-2-(6-methyl-2-oxo-3H-indol-1-yl)-N-pyridin-2-ylpropanamide
CID 67774103
(2R)-3-cyclohexyl-2-(2-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylpropanamide
CID 24745493
(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 91254966
(2S)-2-(7-chloro-6-oxo-1H-isoindol-2-yl)-3-cyclohexyl-N-pyridin-2-ylpropanamide
CID 67484164
2-(6-cyano-2-oxo-3H-indol-1-yl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
CID 67774452
(2S)-3-cyclohexyl-2-[(4R)-2,5-dioxo-4-propylimidazolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 141042919
2-[[(2S)-3-cyclohexyl-2-[(4S)-2,5-dioxo-4-(thiophen-2-ylmethyl)imidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 21130487
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-4-methyl-N-pyridin-2-ylpentanamide
CID 46651712
2-[[3-cyclohexyl-2-[4-[(3-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]propanoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 22679146
methyl 2-[[2-[(4R)-4-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-3-cyclohexylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 142094768
1-(1-cyclohexyl-3-oxo-4-pyridin-2-ylbutan-2-yl)pyrimidine-2,4-dione
CID 123519236

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide (CID 10224339) is (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide is O=C(Nc1ccccn1)[C@H](CC1CCCCC1)N1C(=O)N[C@@H](CC2CCCCC2)C1=O.
What is the InChIKey of (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is ONRUYMVZUXQLRF-PMACEKPBSA-N. The full InChI is InChI=1S/C24H34N4O3/c29-22(27-21-13-7-8-14-25-21)20(16-18-11-5-2-6-12-18)28-23(30)19(26-24(28)31)15-17-9-3-1-4-10-17/h7-8,13-14,17-20H,1-6,9-12,15-16H2,(H,26,31)(H,25,27,29)/t19-,20-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide?
(2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 426.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-[(4S)-4-(cyclohexylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 10224339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).