3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol

C13H15N3O — CID 80525679

IUPAC3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1cccnc1
InChIInChI=1S/C13H15N3O/c14-8-12(10-3-6-15-7-4-10)13(17)11-2-1-5-16-9-11/h1-7,9,12-13,17H,8,14H2
InChIKeySAUUPECBDFOOEA-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.25
Rot. Bonds4

About 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol

3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol (PubChem CID 80525679) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
PubChem CID80525679
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1cccnc1
InChIInChI=1S/C13H15N3O/c14-8-12(10-3-6-15-7-4-10)13(17)11-2-1-5-16-9-11/h1-7,9,12-13,17H,8,14H2
InChIKeySAUUPECBDFOOEA-UHFFFAOYSA-N
XLogP1.25
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
3-amino-2-(4-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188149
1-amino-2-pyridin-3-ylpentan-3-ol
CID 80523388
3-amino-2-pyridin-4-yl-1-thiophen-2-ylpropan-1-ol
CID 80525921
3-amino-2-(3-methylphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65188105
1-amino-4,5-dimethyl-2-pyridin-3-ylhexan-3-ol
CID 80523424
3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 80522600
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol (CID 80525679) is 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol is NCC(c1ccncc1)C(O)c1cccnc1.
What is the InChIKey of 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol?
The InChIKey is SAUUPECBDFOOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c14-8-12(10-3-6-15-7-4-10)13(17)11-2-1-5-16-9-11/h1-7,9,12-13,17H,8,14H2.
What are the key properties of 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol?
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 80525679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).