[(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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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895
(4-hydroxypiperidin-1-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 110890106
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95218046
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
[6-[(2S)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 92623621

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).