2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride

C16H21Cl2N3O2 — CID 119891542

IUPAC2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride
SMILESCc1ccnc(Oc2cc(NC(=O)C(C)N)ccc2C)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-10-6-7-18-15(8-10)21-14-9-13(5-4-11(14)2)19-16(20)12(3)17;;/h4-9,12H,17H2,1-3H3,(H,19,20);2*1H
InChIKeyJGRANJPWUKROSS-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.62
Rot. Bonds4

About 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride

2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride (PubChem CID 119891542) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride
PubChem CID119891542
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride
SMILESCc1ccnc(Oc2cc(NC(=O)C(C)N)ccc2C)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-10-6-7-18-15(8-10)21-14-9-13(5-4-11(14)2)19-16(20)12(3)17;;/h4-9,12H,17H2,1-3H3,(H,19,20);2*1H
InChIKeyJGRANJPWUKROSS-UHFFFAOYSA-N
XLogP3.62
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]butanamide;dihydrochloride
CID 120597132
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]piperidine-3-carboxamide
CID 119891511
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]-2-pyrrolidin-2-ylpyrimidine-5-carboxamide
CID 166261360
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
(2R)-2-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]propanamide
CID 67235654
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride (CID 119891542) is 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride is Cc1ccnc(Oc2cc(NC(=O)C(C)N)ccc2C)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride?
The InChIKey is JGRANJPWUKROSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-10-6-7-18-15(8-10)21-14-9-13(5-4-11(14)2)19-16(20)12(3)17;;/h4-9,12H,17H2,1-3H3,(H,19,20);2*1H.
What are the key properties of 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride?
2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-methyl-3-[(4-methyl-2-pyridinyl)oxy]phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119891542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).