N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

C17H23Cl2N3O3 — CID 119893837

IUPACN-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1.Cl.Cl
InChIInChI=1S/C17H21N3O3.2ClH/c1-12(10-18-2)17(21)20-13-4-9-16(19-11-13)23-15-7-5-14(22-3)6-8-15;;/h4-9,11-12,18H,10H2,1-3H3,(H,20,21);2*1H
InChIKeyFOPQFRMKLDYHBE-UHFFFAOYSA-N
MW388.30 g/mol
LogP3.52
Rot. Bonds7

About N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119893837) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119893837
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC NameN-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1.Cl.Cl
InChIInChI=1S/C17H21N3O3.2ClH/c1-12(10-18-2)17(21)20-13-4-9-16(19-11-13)23-15-7-5-14(22-3)6-8-15;;/h4-9,11-12,18H,10H2,1-3H3,(H,20,21);2*1H
InChIKeyFOPQFRMKLDYHBE-UHFFFAOYSA-N
XLogP3.52
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(methylamino)-N-[6-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]propanamide
CID 119878544
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
2-methyl-3-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 79195926
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801081
N-[4-(2-methoxyethoxy)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119723429
N-[1-[[6-(4-fluorophenoxy)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55714129
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 81489773
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
2-amino-3-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide;dihydrochloride
CID 119849169

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119893837) is N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1.Cl.Cl.
What is the InChIKey of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is FOPQFRMKLDYHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.2ClH/c1-12(10-18-2)17(21)20-13-4-9-16(19-11-13)23-15-7-5-14(22-3)6-8-15;;/h4-9,11-12,18H,10H2,1-3H3,(H,20,21);2*1H.
What are the key properties of N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119893837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).