N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride

C17H21ClN2O2 — CID 10125724

IUPACN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
SMILESCCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15;/h3-11,16,20H,2,12-13H2,1H3;1H
InChIKeyJQIPVEBSCXNGIG-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.63
Rot. Bonds6

About N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride

N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride (PubChem CID 10125724) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
PubChem CID10125724
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride
SMILESCCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.Cl
InChIInChI=1S/C17H20N2O2.ClH/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15;/h3-11,16,20H,2,12-13H2,1H3;1H
InChIKeyJQIPVEBSCXNGIG-UHFFFAOYSA-N
XLogP2.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 67159601
N-ethyl-3-hydroxy-N-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-phenylpropanamide
CID 129318654
(2S)-N-ethyl-2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 40635886
[3-[ethyl(pyridin-4-ylmethyl)amino]-3-oxo-2-phenylpropyl] (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate
CID 13340422
2-bromo-N-ethyl-N-(pyridin-4-ylmethyl)propanamide
CID 107904597
N-ethyl-3-(4-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 46995859
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 564270
N-ethyl-2-phenyl-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 44630282
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
N-benzyl-N-ethyl-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
CID 110296433
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 61162675
2-amino-N-ethyl-N-(pyridin-4-ylmethyl)pentanamide
CID 54873793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride?
The IUPAC name of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride (CID 10125724) is N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride is CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride?
The InChIKey is JQIPVEBSCXNGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2.ClH/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(13-20)15-6-4-3-5-7-15;/h3-11,16,20H,2,12-13H2,1H3;1H.
What are the key properties of N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride?
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 10125724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).