trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C24H31N3O4 — CID 86598266

IUPACtrans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1CC(C(=O)N2CCCC2)CC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O4/c28-22(25-31)21-16-19(23(29)26-12-4-5-13-26)8-9-20(21)24(30)27-14-10-18(11-15-27)17-6-2-1-3-7-17/h1-3,6-7,10,19-21,31H,4-5,8-9,11-16H2,(H,25,28)/t19?,20-,21-/m0/s1
InChIKeyRYUQISIXJBTOFU-AKQSQHNNSA-N
MW425.53 g/mol
LogP2.46
Rot. Bonds4

About trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 86598266) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID86598266
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nametrans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(NO)[C@H]1CC(C(=O)N2CCCC2)CC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C24H31N3O4/c28-22(25-31)21-16-19(23(29)26-12-4-5-13-26)8-9-20(21)24(30)27-14-10-18(11-15-27)17-6-2-1-3-7-17/h1-3,6-7,10,19-21,31H,4-5,8-9,11-16H2,(H,25,28)/t19?,20-,21-/m0/s1
InChIKeyRYUQISIXJBTOFU-AKQSQHNNSA-N
XLogP2.46
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 86598266) is trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is O=C(NO)[C@H]1CC(C(=O)N2CCCC2)CC[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is RYUQISIXJBTOFU-AKQSQHNNSA-N. The full InChI is InChI=1S/C24H31N3O4/c28-22(25-31)21-16-19(23(29)26-12-4-5-13-26)8-9-20(21)24(30)27-14-10-18(11-15-27)17-6-2-1-3-7-17/h1-3,6-7,10,19-21,31H,4-5,8-9,11-16H2,(H,25,28)/t19?,20-,21-/m0/s1.
What are the key properties of trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-hydroxy-2-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86598266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).