[6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol

C17H23N3O — CID 57095095

IUPAC[6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol
SMILESCC(CCc1ccccc1)NCc1nc(N)ccc1CO
InChIInChI=1S/C17H23N3O/c1-13(7-8-14-5-3-2-4-6-14)19-11-16-15(12-21)9-10-17(18)20-16/h2-6,9-10,13,19,21H,7-8,11-12H2,1H3,(H2,18,20)
InChIKeyAUMQLBVRTGAHPF-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.27
Rot. Bonds7

About [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol

[6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol (PubChem CID 57095095) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol
PubChem CID57095095
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol
SMILESCC(CCc1ccccc1)NCc1nc(N)ccc1CO
InChIInChI=1S/C17H23N3O/c1-13(7-8-14-5-3-2-4-6-14)19-11-16-15(12-21)9-10-17(18)20-16/h2-6,9-10,13,19,21H,7-8,11-12H2,1H3,(H2,18,20)
InChIKeyAUMQLBVRTGAHPF-UHFFFAOYSA-N
XLogP2.27
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol?
The IUPAC name of [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol (CID 57095095) is [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol.
What is the SMILES notation for [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol?
The canonical SMILES for [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol is CC(CCc1ccccc1)NCc1nc(N)ccc1CO.
What is the InChIKey of [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol?
The InChIKey is AUMQLBVRTGAHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(7-8-14-5-3-2-4-6-14)19-11-16-15(12-21)9-10-17(18)20-16/h2-6,9-10,13,19,21H,7-8,11-12H2,1H3,(H2,18,20).
What are the key properties of [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol?
[6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol has a molecular weight of 285.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-2-[(4-phenylbutan-2-ylamino)methyl]-3-pyridinyl]methanol is sourced from PubChem (CID 57095095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).