N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride

C22H25Cl2N3O2 — CID 18319731

IUPACN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CCNCC(O)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C22H23N3O2.2ClH/c26-21(18-6-2-1-3-7-18)16-23-15-13-17-9-11-19(12-10-17)25-22(27)20-8-4-5-14-24-20;;/h1-12,14,21,23,26H,13,15-16H2,(H,25,27);2*1H
InChIKeyGASHCKZLMFSDGK-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.04
Rot. Bonds8

About N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride

N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride (PubChem CID 18319731) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
PubChem CID18319731
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC NameN-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(CCNCC(O)c2ccccc2)cc1)c1ccccn1
InChIInChI=1S/C22H23N3O2.2ClH/c26-21(18-6-2-1-3-7-18)16-23-15-13-17-9-11-19(12-10-17)25-22(27)20-8-4-5-14-24-20;;/h1-12,14,21,23,26H,13,15-16H2,(H,25,27);2*1H
InChIKeyGASHCKZLMFSDGK-UHFFFAOYSA-N
XLogP4.04
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.04
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

4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]-N-phenylpyridine-2-carboxamide
CID 139886411
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
N-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride
CID 46193817
N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
CID 113272163
N-[4-(2-hydroxyethyl)phenyl]pyridine-2-carboxamide
CID 61223962
2-(4-amino-1,3-thiazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide
CID 125418925
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetamide;dihydrochloride
CID 140665357
2-(1-benzyl-1,2,4-triazol-3-yl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide
CID 18319715
(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
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 18319843
2-(6-amino-2-pyridinyl)-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]acetamide;dihydrochloride
CID 18319828

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride (CID 18319731) is N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(CCNCC(O)c2ccccc2)cc1)c1ccccn1.
What is the InChIKey of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride?
The InChIKey is GASHCKZLMFSDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.2ClH/c26-21(18-6-2-1-3-7-18)16-23-15-13-17-9-11-19(12-10-17)25-22(27)20-8-4-5-14-24-20;;/h1-12,14,21,23,26H,13,15-16H2,(H,25,27);2*1H.
What are the key properties of N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride?
N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride has a molecular weight of 434.37 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]pyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 18319731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).