1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine

C15H19N3O — CID 80639341

IUPAC1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cccnc2C)nc1
InChIInChI=1S/C15H19N3O/c1-3-13(16)9-12-6-7-15(18-10-12)19-14-5-4-8-17-11(14)2/h4-8,10,13H,3,9,16H2,1-2H3
InChIKeyHGIKFSOPJQZJQG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.86
Rot. Bonds5

About 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine

1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine (PubChem CID 80639341) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
PubChem CID80639341
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Oc2cccnc2C)nc1
InChIInChI=1S/C15H19N3O/c1-3-13(16)9-12-6-7-15(18-10-12)19-14-5-4-8-17-11(14)2/h4-8,10,13H,3,9,16H2,1-2H3
InChIKeyHGIKFSOPJQZJQG-UHFFFAOYSA-N
XLogP2.86
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine (CID 80639341) is 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(Oc2cccnc2C)nc1.
What is the InChIKey of 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine?
The InChIKey is HGIKFSOPJQZJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-13(16)9-12-6-7-15(18-10-12)19-14-5-4-8-17-11(14)2/h4-8,10,13H,3,9,16H2,1-2H3.
What are the key properties of 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine?
1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80639341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).