7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol

C19H26N2O — CID 70384868

IUPAC7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol
SMILESCCC(O)C(C)CC(Cc1cccnc1N)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-18(22)14(2)12-17(15-8-5-4-6-9-15)13-16-10-7-11-21-19(16)20/h4-11,14,17-18,22H,3,12-13H2,1-2H3,(H2,20,21)
InChIKeyPFEBLIUMTJRHSE-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.79
Rot. Bonds7

About 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol

7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol (PubChem CID 70384868) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol.

Molecular Properties

Compound Name7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol
PubChem CID70384868
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol
SMILESCCC(O)C(C)CC(Cc1cccnc1N)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-3-18(22)14(2)12-17(15-8-5-4-6-9-15)13-16-10-7-11-21-19(16)20/h4-11,14,17-18,22H,3,12-13H2,1-2H3,(H2,20,21)
InChIKeyPFEBLIUMTJRHSE-UHFFFAOYSA-N
XLogP3.79
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol?
The IUPAC name of 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol (CID 70384868) is 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol.
What is the SMILES notation for 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol?
The canonical SMILES for 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol is CCC(O)C(C)CC(Cc1cccnc1N)c1ccccc1.
What is the InChIKey of 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol?
The InChIKey is PFEBLIUMTJRHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-3-18(22)14(2)12-17(15-8-5-4-6-9-15)13-16-10-7-11-21-19(16)20/h4-11,14,17-18,22H,3,12-13H2,1-2H3,(H2,20,21).
What are the key properties of 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol?
7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol has a molecular weight of 298.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-3-pyridinyl)-4-methyl-6-phenylheptan-3-ol is sourced from PubChem (CID 70384868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).