[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone

C19H21FN2O2 — CID 124995992

IUPAC[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
SMILESO=C(c1cccc(Cc2cccc(F)c2)n1)N1CCC[C@H](O)CC1
InChIInChI=1S/C19H21FN2O2/c20-15-5-1-4-14(12-15)13-16-6-2-8-18(21-16)19(24)22-10-3-7-17(23)9-11-22/h1-2,4-6,8,12,17,23H,3,7,9-11,13H2/t17-/m0/s1
InChIKeyQPVIIIUWENFWSD-KRWDZBQOSA-N
MW328.39 g/mol
LogP2.80
Rot. Bonds3

About [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone

[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone (PubChem CID 124995992) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone.

Molecular Properties

Compound Name[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
PubChem CID124995992
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
SMILESO=C(c1cccc(Cc2cccc(F)c2)n1)N1CCC[C@H](O)CC1
InChIInChI=1S/C19H21FN2O2/c20-15-5-1-4-14(12-15)13-16-6-2-8-18(21-16)19(24)22-10-3-7-17(23)9-11-22/h1-2,4-6,8,12,17,23H,3,7,9-11,13H2/t17-/m0/s1
InChIKeyQPVIIIUWENFWSD-KRWDZBQOSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-fluorophenyl)methyl]-1,3-thiazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 110021460
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
2-(4-fluorophenyl)-1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249685
6-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119182737
[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95810149
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
1-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 110249457
6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 110090893
[6-(aminomethyl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 82506917
2-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ol
CID 117156891
[2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110254646
(3R)-N,N-diethyl-1-[3-[(3-fluorophenyl)methyl]-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide
CID 42449046

Frequently Asked Questions

What is the IUPAC name of [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
The IUPAC name of [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone (CID 124995992) is [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone.
What is the SMILES notation for [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
The canonical SMILES for [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone is O=C(c1cccc(Cc2cccc(F)c2)n1)N1CCC[C@H](O)CC1.
What is the InChIKey of [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
The InChIKey is QPVIIIUWENFWSD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-15-5-1-4-14(12-15)13-16-6-2-8-18(21-16)19(24)22-10-3-7-17(23)9-11-22/h1-2,4-6,8,12,17,23H,3,7,9-11,13H2/t17-/m0/s1.
What are the key properties of [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone is sourced from PubChem (CID 124995992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).