N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

C27H30N4O3 — CID 46881698

IUPACN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1
InChIKeyRTSLMYXQERUVCS-YNMFNDETSA-N
MW458.56 g/mol
LogP2.90
Rot. Bonds10

About N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (PubChem CID 46881698) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
PubChem CID46881698
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
InChIInChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1
InChIKeyRTSLMYXQERUVCS-YNMFNDETSA-N
XLogP2.90
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (CID 46881698) is N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is RTSLMYXQERUVCS-YNMFNDETSA-N. The full InChI is InChI=1S/C27H30N4O3/c32-25(22-7-4-13-28-16-22)17-29-14-12-20-8-10-24(11-9-20)30-26(33)19-31-18-23(15-27(31)34)21-5-2-1-3-6-21/h1-11,13,16,23,25,29,32H,12,14-15,17-19H2,(H,30,33)/t23?,25-/m0/s1.
What are the key properties of N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 458.56 g/mol, XLogP of 2.90, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 46881698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).