N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine

C16H21N3O — CID 115940028

IUPACN-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
SMILESCCCNC(CC)c1ccc(Oc2cccnc2)cn1
InChIInChI=1S/C16H21N3O/c1-3-9-18-15(4-2)16-8-7-14(12-19-16)20-13-6-5-10-17-11-13/h5-8,10-12,15,18H,3-4,9H2,1-2H3
InChIKeyFXKWQFBNHJPOGH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.72
Rot. Bonds7

About N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine

N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine (PubChem CID 115940028) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
PubChem CID115940028
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
SMILESCCCNC(CC)c1ccc(Oc2cccnc2)cn1
InChIInChI=1S/C16H21N3O/c1-3-9-18-15(4-2)16-8-7-14(12-19-16)20-13-6-5-10-17-11-13/h5-8,10-12,15,18H,3-4,9H2,1-2H3
InChIKeyFXKWQFBNHJPOGH-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 115939962
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
CID 115939879
N-propyl-1-(5-pyrimidin-2-ylsulfanyl-2-pyridinyl)propan-1-amine
CID 115940259

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine?
The IUPAC name of N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine (CID 115940028) is N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine.
What is the SMILES notation for N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine?
The canonical SMILES for N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine is CCCNC(CC)c1ccc(Oc2cccnc2)cn1.
What is the InChIKey of N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine?
The InChIKey is FXKWQFBNHJPOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-9-18-15(4-2)16-8-7-14(12-19-16)20-13-6-5-10-17-11-13/h5-8,10-12,15,18H,3-4,9H2,1-2H3.
What are the key properties of N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine?
N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine is sourced from PubChem (CID 115940028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).