(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide

C24H34N4O3 — CID 91254966

IUPAC(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
SMILESCn1c(C2CCCCC2)c(O)n([C@@H](CC2CCCCC2)C(=O)Nc2ccccn2)c1=O
InChIInChI=1S/C24H34N4O3/c1-27-21(18-12-6-3-7-13-18)23(30)28(24(27)31)19(16-17-10-4-2-5-11-17)22(29)26-20-14-8-9-15-25-20/h8-9,14-15,17-19,30H,2-7,10-13,16H2,1H3,(H,25,26,29)/t19-/m0/s1
InChIKeyIDOHGPVAVRKEFN-IBGZPJMESA-N
MW426.56 g/mol
LogP4.49
Rot. Bonds6

About (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide

(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide (PubChem CID 91254966) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
PubChem CID91254966
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide
SMILESCn1c(C2CCCCC2)c(O)n([C@@H](CC2CCCCC2)C(=O)Nc2ccccn2)c1=O
InChIInChI=1S/C24H34N4O3/c1-27-21(18-12-6-3-7-13-18)23(30)28(24(27)31)19(16-17-10-4-2-5-11-17)22(29)26-20-14-8-9-15-25-20/h8-9,14-15,17-19,30H,2-7,10-13,16H2,1H3,(H,25,26,29)/t19-/m0/s1
InChIKeyIDOHGPVAVRKEFN-IBGZPJMESA-N
XLogP4.49
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 67483704
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6-[[3-cyclohexyl-2-(4-cyclopentylsulfonyl-2-methyl-6-oxo-1-pyridinyl)propanoyl]amino]pyridine-3-carboxamide
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(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
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Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide (CID 91254966) is (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide is Cn1c(C2CCCCC2)c(O)n([C@@H](CC2CCCCC2)C(=O)Nc2ccccn2)c1=O.
What is the InChIKey of (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is IDOHGPVAVRKEFN-IBGZPJMESA-N. The full InChI is InChI=1S/C24H34N4O3/c1-27-21(18-12-6-3-7-13-18)23(30)28(24(27)31)19(16-17-10-4-2-5-11-17)22(29)26-20-14-8-9-15-25-20/h8-9,14-15,17-19,30H,2-7,10-13,16H2,1H3,(H,25,26,29)/t19-/m0/s1.
What are the key properties of (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide?
(2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 426.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(4-cyclohexyl-5-hydroxy-3-methyl-2-oxoimidazol-1-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 91254966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).