3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride

C16H21Cl2N3O2 — CID 119846183

IUPAC3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(OCc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12(17)8-16(20)19-14-5-2-6-15(9-14)21-11-13-4-3-7-18-10-13;;/h2-7,9-10,12H,8,11,17H2,1H3,(H,19,20);2*1H
InChIKeyFUYBMRKMBPEBLY-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.18
Rot. Bonds6

About 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride

3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride (PubChem CID 119846183) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
PubChem CID119846183
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(OCc2cccnc2)c1.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-12(17)8-16(20)19-14-5-2-6-15(9-14)21-11-13-4-3-7-18-10-13;;/h2-7,9-10,12H,8,11,17H2,1H3,(H,19,20);2*1H
InChIKeyFUYBMRKMBPEBLY-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
CID 119846196
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
2-(1-hydroxycyclohexyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 111536786
2-(4-phenylphenyl)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 52655964
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 119846170
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
2-(2-methoxy-4-methylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55804685
N-[3-(pyridin-3-ylmethoxy)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119846187
4-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]pentanamide
CID 120560905

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride (CID 119846183) is 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride is CC(N)CC(=O)Nc1cccc(OCc2cccnc2)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride?
The InChIKey is FUYBMRKMBPEBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-12(17)8-16(20)19-14-5-2-6-15(9-14)21-11-13-4-3-7-18-10-13;;/h2-7,9-10,12H,8,11,17H2,1H3,(H,19,20);2*1H.
What are the key properties of 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride?
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119846183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).