4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide

C22H23N3O2 — CID 139886411

IUPAC4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(CCNC[C@H](O)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O2/c26-21(18-7-3-1-4-8-18)16-23-13-11-17-12-14-24-20(15-17)22(27)25-19-9-5-2-6-10-19/h1-10,12,14-15,21,23,26H,11,13,16H2,(H,25,27)/t21-/m0/s1
InChIKeySIXJYELRCJULIF-NRFANRHFSA-N
MW361.45 g/mol
LogP3.20
Rot. Bonds8

About 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide

4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide (PubChem CID 139886411) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
PubChem CID139886411
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(CCNC[C@H](O)c2ccccc2)ccn1
InChIInChI=1S/C22H23N3O2/c26-21(18-7-3-1-4-8-18)16-23-13-11-17-12-14-24-20(15-17)22(27)25-19-9-5-2-6-10-19/h1-10,12,14-15,21,23,26H,11,13,16H2,(H,25,27)/t21-/m0/s1
InChIKeySIXJYELRCJULIF-NRFANRHFSA-N
XLogP3.20
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
CID 18319731
2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 18319720
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46192969
2-[4-[2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]ethyl]-2-pyridinyl]-N-phenylacetamide
CID 139886427
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]pyrazol-1-yl]-N-phenylacetamide
CID 139886361
(6S)-N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 139318199
2-(2-amino-1,3-thiazol-4-yl)-N-[3-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 123534088
2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 125418925
2-(1-benzyl-1,2,4-triazol-3-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319715
N-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 46192825
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide (CID 139886411) is 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide is O=C(Nc1ccccc1)c1cc(CCNC[C@H](O)c2ccccc2)ccn1.
What is the InChIKey of 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide?
The InChIKey is SIXJYELRCJULIF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(18-7-3-1-4-8-18)16-23-13-11-17-12-14-24-20(15-17)22(27)25-19-9-5-2-6-10-19/h1-10,12,14-15,21,23,26H,11,13,16H2,(H,25,27)/t21-/m0/s1.
What are the key properties of 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide?
4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide is sourced from PubChem (CID 139886411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).