3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride

C16H21Cl2N3O3 — CID 119893847

IUPAC3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
SMILESCOc1ccc(Oc2ccc(NC(=O)CC(C)N)cn2)cc1.Cl.Cl
InChIInChI=1S/C16H19N3O3.2ClH/c1-11(17)9-15(20)19-12-3-8-16(18-10-12)22-14-6-4-13(21-2)5-7-14;;/h3-8,10-11H,9,17H2,1-2H3,(H,19,20);2*1H
InChIKeyJIBIWZUXXONVER-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.40
Rot. Bonds6

About 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride

3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride (PubChem CID 119893847) has the molecular formula C16H21Cl2N3O3 and a molecular weight of 374.27 g/mol. Its IUPAC name is 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
PubChem CID119893847
Molecular FormulaC16H21Cl2N3O3
Molecular Weight374.27 g/mol
Exact Mass373.10
IUPAC Name3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
SMILESCOc1ccc(Oc2ccc(NC(=O)CC(C)N)cn2)cc1.Cl.Cl
InChIInChI=1S/C16H19N3O3.2ClH/c1-11(17)9-15(20)19-12-3-8-16(18-10-12)22-14-6-4-13(21-2)5-7-14;;/h3-8,10-11H,9,17H2,1-2H3,(H,19,20);2*1H
InChIKeyJIBIWZUXXONVER-UHFFFAOYSA-N
XLogP3.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
(2S)-2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-4-methylpentanamide;dihydrochloride
CID 119893859
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119893837
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
3-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888495
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
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
3-amino-N-[4-(4-ethoxyphenoxy)phenyl]butanamide
CID 119680037
1-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119893826
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride (CID 119893847) is 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride is COc1ccc(Oc2ccc(NC(=O)CC(C)N)cn2)cc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
The InChIKey is JIBIWZUXXONVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3.2ClH/c1-11(17)9-15(20)19-12-3-8-16(18-10-12)22-14-6-4-13(21-2)5-7-14;;/h3-8,10-11H,9,17H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride has a molecular weight of 374.27 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride is sourced from PubChem (CID 119893847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).