N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride

C18H24ClN3O2 — CID 119516475

IUPACN-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)Nc2ccc(N)nc2)ccc1C(C)C.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-11(2)16-7-6-15(9-12(16)3)23-13(4)18(22)21-14-5-8-17(19)20-10-14;/h5-11,13H,1-4H3,(H2,19,20)(H,21,22);1H
InChIKeyAGMULRJBZWQESL-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.92
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride

N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 119516475) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID119516475
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCc1cc(OC(C)C(=O)Nc2ccc(N)nc2)ccc1C(C)C.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-11(2)16-7-6-15(9-12(16)3)23-13(4)18(22)21-14-5-8-17(19)20-10-14;/h5-11,13H,1-4H3,(H2,19,20)(H,21,22);1H
InChIKeyAGMULRJBZWQESL-UHFFFAOYSA-N
XLogP3.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)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-(6-amino-3-pyridinyl)-2-ethoxypropanamide
CID 119516288
butyl 4-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzoate
CID 53266872
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide
CID 55824936
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
CID 55978454
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 53266898
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
CID 99776072

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride (CID 119516475) is N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride is Cc1cc(OC(C)C(=O)Nc2ccc(N)nc2)ccc1C(C)C.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is AGMULRJBZWQESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-11(2)16-7-6-15(9-12(16)3)23-13(4)18(22)21-14-5-8-17(19)20-10-14;/h5-11,13H,1-4H3,(H2,19,20)(H,21,22);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119516475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).