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

C16H21Cl2N3O2 — CID 119852380

IUPAC4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)CCCN)cn2)cc1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12-4-7-14(8-5-12)21-16-9-6-13(11-18-16)19-15(20)3-2-10-17;;/h4-9,11H,2-3,10,17H2,1H3,(H,19,20);2*1H
InChIKeyJGTOTLUFZIYUPS-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.70
Rot. Bonds6

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

4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride (PubChem CID 119852380) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
PubChem CID119852380
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
SMILESCc1ccc(Oc2ccc(NC(=O)CCCN)cn2)cc1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12-4-7-14(8-5-12)21-16-9-6-13(11-18-16)19-15(20)3-2-10-17;;/h4-9,11H,2-3,10,17H2,1H3,(H,19,20);2*1H
InChIKeyJGTOTLUFZIYUPS-UHFFFAOYSA-N
XLogP3.70
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
4-amino-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]butanamide
CID 119888503
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55787663
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
1-(4-methoxyphenyl)-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 42691260
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
4-[[6-(3,5-dimethylphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194109
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
[6-(4-methylphenoxy)-3-pyridinyl]hydrazine
CID 69019702
1-[(2S)-1-hydroxypropan-2-yl]-3-[6-(4-methylphenoxy)-3-pyridinyl]urea
CID 94734823
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride (CID 119852380) is 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride is Cc1ccc(Oc2ccc(NC(=O)CCCN)cn2)cc1.Cl.Cl.
What is the InChIKey of 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
The InChIKey is JGTOTLUFZIYUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-12-4-7-14(8-5-12)21-16-9-6-13(11-18-16)19-15(20)3-2-10-17;;/h4-9,11H,2-3,10,17H2,1H3,(H,19,20);2*1H.
What are the key properties of 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride?
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride is sourced from PubChem (CID 119852380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).