2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride

C16H21Cl2N3O2 — CID 119846147

IUPAC2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(OCc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-16(2,17)15(20)19-13-6-3-7-14(9-13)21-11-12-5-4-8-18-10-12;;/h3-10H,11,17H2,1-2H3,(H,19,20);2*1H
InChIKeySXDUXVYNNSEGBS-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.18
Rot. Bonds5

About 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride

2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride (PubChem CID 119846147) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
PubChem CID119846147
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)Nc1cccc(OCc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-16(2,17)15(20)19-13-6-3-7-14(9-13)21-11-12-5-4-8-18-10-12;;/h3-10H,11,17H2,1-2H3,(H,19,20);2*1H
InChIKeySXDUXVYNNSEGBS-UHFFFAOYSA-N
XLogP3.18
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride 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

3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173
(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
CID 119846196
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
2-amino-2-methyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 87958494
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
1-hydroxy-N-[3-(pyridin-3-ylmethoxy)phenyl]cyclopentane-1-carboxamide
CID 110899598
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride (CID 119846147) is 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride is CC(C)(N)C(=O)Nc1cccc(OCc2cccnc2)c1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride?
The InChIKey is SXDUXVYNNSEGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-16(2,17)15(20)19-13-6-3-7-14(9-13)21-11-12-5-4-8-18-10-12;;/h3-10H,11,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride is sourced from PubChem (CID 119846147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).