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

C19H21FN2O2 — CID 125015399

IUPAC[6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2F)nc1)N1CCC[C@H](O)CC1
InChIInChI=1S/C19H21FN2O2/c20-18-6-2-1-4-14(18)12-16-8-7-15(13-21-16)19(24)22-10-3-5-17(23)9-11-22/h1-2,4,6-8,13,17,23H,3,5,9-12H2/t17-/m0/s1
InChIKeyWTIPIAGWZRHADO-KRWDZBQOSA-N
MW328.39 g/mol
LogP2.80
Rot. Bonds3

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

[6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone (PubChem CID 125015399) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
PubChem CID125015399
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name[6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2F)nc1)N1CCC[C@H](O)CC1
InChIInChI=1S/C19H21FN2O2/c20-18-6-2-1-4-14(18)12-16-8-7-15(13-21-16)19(24)22-10-3-5-17(23)9-11-22/h1-2,4,6-8,13,17,23H,3,5,9-12H2/t17-/m0/s1
InChIKeyWTIPIAGWZRHADO-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

[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129459950
5-[4-[(2-fluorophenyl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120695987
azepan-1-yl-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109257044
[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
1-[(4aR,8aS)-5-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-8a-methyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]ethanone
CID 110140487
4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 110090396
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809453
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
6-[[(4R)-1-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 125019552
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
(6-bromo-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 66462671
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584

Frequently Asked Questions

What is the IUPAC name of [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
The IUPAC name of [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone (CID 125015399) is [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone.
What is the SMILES notation for [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
The canonical SMILES for [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone is O=C(c1ccc(Cc2ccccc2F)nc1)N1CCC[C@H](O)CC1.
What is the InChIKey of [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
The InChIKey is WTIPIAGWZRHADO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21FN2O2/c20-18-6-2-1-4-14(18)12-16-8-7-15(13-21-16)19(24)22-10-3-5-17(23)9-11-22/h1-2,4,6-8,13,17,23H,3,5,9-12H2/t17-/m0/s1.
What are the key properties of [6-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone?
[6-[(2-fluorophenyl)methyl]-3-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-[(2-fluorophenyl)methyl]-3-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone is sourced from PubChem (CID 125015399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).