[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone

C13H18N2O3 — CID 124757534

IUPAC[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](O)CC2)cn1
InChIInChI=1S/C13H18N2O3/c1-18-12-5-4-10(9-14-12)13(17)15-7-2-3-11(16)6-8-15/h4-5,9,11,16H,2-3,6-8H2,1H3/t11-/m1/s1
InChIKeyWOJHSEFYIHWAAY-LLVKDONJSA-N
MW250.30 g/mol
LogP1.08
Rot. Bonds2

About [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone

[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 124757534) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID124757534
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](O)CC2)cn1
InChIInChI=1S/C13H18N2O3/c1-18-12-5-4-10(9-14-12)13(17)15-7-2-3-11(16)6-8-15/h4-5,9,11,16H,2-3,6-8H2,1H3/t11-/m1/s1
InChIKeyWOJHSEFYIHWAAY-LLVKDONJSA-N
XLogP1.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 124757534) is [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC[C@@H](O)CC2)cn1.
What is the InChIKey of [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is WOJHSEFYIHWAAY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-5-4-10(9-14-12)13(17)15-7-2-3-11(16)6-8-15/h4-5,9,11,16H,2-3,6-8H2,1H3/t11-/m1/s1.
What are the key properties of [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 250.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 124757534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).