3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol

C17H23N3O — CID 80813524

IUPAC3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
SMILESCCCNc1cccc(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-2-11-18-16-9-6-10-17(20-16)19-15(13-21)12-14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H2,18,19,20)
InChIKeyNTUJEAOGTKKAGQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.92
Rot. Bonds8

About 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol

3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol (PubChem CID 80813524) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
PubChem CID80813524
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol
SMILESCCCNc1cccc(NC(CO)Cc2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-2-11-18-16-9-6-10-17(20-16)19-15(13-21)12-14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H2,18,19,20)
InChIKeyNTUJEAOGTKKAGQ-UHFFFAOYSA-N
XLogP2.92
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-pentan-3-yl-2-N-propylpyridine-2,6-diamine
CID 80770551
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
2-[(5-tert-butyl-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 107874683
2-methylsulfanyl-3-[[6-(propylamino)-2-pyridinyl]amino]butan-1-ol
CID 106163426
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
2-[(2-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80830612
6-N-(4-methylpentan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 80783247
2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80914656
6-N-(2-phenylpropyl)-2-N-propylpyridine-2,6-diamine
CID 104592500
2-[[6-(ethylamino)-2-pyridinyl]amino]-2-phenylethanol
CID 80827704
6-N-heptan-2-yl-2-N-propylpyridine-2,6-diamine
CID 80803403
2-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 66325490

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol (CID 80813524) is 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol is CCCNc1cccc(NC(CO)Cc2ccccc2)n1.
What is the InChIKey of 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol?
The InChIKey is NTUJEAOGTKKAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-11-18-16-9-6-10-17(20-16)19-15(13-21)12-14-7-4-3-5-8-14/h3-10,15,21H,2,11-13H2,1H3,(H2,18,19,20).
What are the key properties of 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol?
3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[6-(propylamino)-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 80813524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).