2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride

C17H23Cl2N3O3 — CID 119847596

IUPAC2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
SMILESCOc1cccc(Oc2ccc(CNC(=O)C(C)(C)N)cn2)c1.Cl.Cl
InChIInChI=1S/C17H21N3O3.2ClH/c1-17(2,18)16(21)20-11-12-7-8-15(19-10-12)23-14-6-4-5-13(9-14)22-3;;/h4-10H,11,18H2,1-3H3,(H,20,21);2*1H
InChIKeyWDOAXNMFUACXTO-UHFFFAOYSA-N
MW388.30 g/mol
LogP3.08
Rot. Bonds6

About 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride

2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride (PubChem CID 119847596) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
PubChem CID119847596
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC Name2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
SMILESCOc1cccc(Oc2ccc(CNC(=O)C(C)(C)N)cn2)c1.Cl.Cl
InChIInChI=1S/C17H21N3O3.2ClH/c1-17(2,18)16(21)20-11-12-7-8-15(19-10-12)23-14-6-4-5-13(9-14)22-3;;/h4-10H,11,18H2,1-3H3,(H,20,21);2*1H
InChIKeyWDOAXNMFUACXTO-UHFFFAOYSA-N
XLogP3.08
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
(2S)-2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-methylpentanamide;dihydrochloride
CID 119847644
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55800565
1-[(2S)-1-hydroxypropan-2-yl]-3-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]urea
CID 94055158
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 55793737
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55858632
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
5-ethyl-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 78901654
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847592

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride (CID 119847596) is 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride is COc1cccc(Oc2ccc(CNC(=O)C(C)(C)N)cn2)c1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride?
The InChIKey is WDOAXNMFUACXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.2ClH/c1-17(2,18)16(21)20-11-12-7-8-15(19-10-12)23-14-6-4-5-13(9-14)22-3;;/h4-10H,11,18H2,1-3H3,(H,20,21);2*1H.
What are the key properties of 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride?
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119847596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).