(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone

C16H21FN2O — CID 115497518

IUPAC(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H21FN2O/c17-15-10-4-8-13(18-15)16(20)19-11-5-9-14(19)12-6-2-1-3-7-12/h4,8,10,12,14H,1-3,5-7,9,11H2
InChIKeyFSGXBDRMKBYTJE-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.41
Rot. Bonds2

About (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone

(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone (PubChem CID 115497518) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
PubChem CID115497518
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone
SMILESO=C(c1cccc(F)n1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H21FN2O/c17-15-10-4-8-13(18-15)16(20)19-11-5-9-14(19)12-6-2-1-3-7-12/h4,8,10,12,14H,1-3,5-7,9,11H2
InChIKeyFSGXBDRMKBYTJE-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-fluoro-2-pyridinyl)methanone
CID 113323386
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(2,6-difluorophenyl)-2-pyridinyl]methanone
CID 58210834
(6-fluoro-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 115497894
(6-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone;hydrochloride
CID 119999048
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(6-bromo-2-pyridinyl)methanone
CID 113344267
(6-fluoro-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115497671
(6-fluoro-2-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 115497092
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-(4-methylphenyl)-2-pyridinyl]methanone
CID 58210713
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 65322341
1-[(2S)-1-(6-fluoropyridine-2-carbonyl)pyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 58533268
(6-fluoro-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 113323326
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[6-[4-(1,1-difluoroethyl)phenyl]-2-pyridinyl]methanone
CID 58210908

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone (CID 115497518) is (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone is O=C(c1cccc(F)n1)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
The InChIKey is FSGXBDRMKBYTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-10-4-8-13(18-15)16(20)19-11-5-9-14(19)12-6-2-1-3-7-12/h4,8,10,12,14H,1-3,5-7,9,11H2.
What are the key properties of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone?
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone has a molecular weight of 276.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 115497518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).