(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone

C16H21FN2O — CID 63979551

IUPAC(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H21FN2O/c17-15-9-8-13(11-18-15)16(20)19-10-4-7-14(19)12-5-2-1-3-6-12/h8-9,11-12,14H,1-7,10H2
InChIKeyQLQVXJBTDMZLRP-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.41
Rot. Bonds2

About (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone

(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone (PubChem CID 63979551) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
PubChem CID63979551
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
SMILESO=C(c1ccc(F)nc1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H21FN2O/c17-15-9-8-13(11-18-15)16(20)19-10-4-7-14(19)12-5-2-1-3-6-12/h8-9,11-12,14H,1-7,10H2
InChIKeyQLQVXJBTDMZLRP-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'}

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Related Compounds

(2-cyclopentylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63978793
(6-fluoro-3-pyridinyl)-(2-iodopiperidin-1-yl)methanone
CID 68880844
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
N-[5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-pyridinyl]-4-fluorobenzamide
CID 58707812
(2-ethylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63971232
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
(2-cyclopentylpyrrolidin-1-yl)-(4-fluoro-3-sulfanylphenyl)methanone
CID 107027342
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
The IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone (CID 63979551) is (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
The canonical SMILES for (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone is O=C(c1ccc(F)nc1)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
The InChIKey is QLQVXJBTDMZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c17-15-9-8-13(11-18-15)16(20)19-10-4-7-14(19)12-5-2-1-3-6-12/h8-9,11-12,14H,1-7,10H2.
What are the key properties of (2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone?
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-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-3-pyridinyl)methanone is sourced from PubChem (CID 63979551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).