(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone

C16H20Cl2N2O — CID 61050917

IUPAC(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-9-12(10-19-15(13)18)16(21)20-8-4-7-14(20)11-5-2-1-3-6-11/h9-11,14H,1-8H2
InChIKeyACAWHVABWDHGAE-UHFFFAOYSA-N
MW327.25 g/mol
LogP4.57
Rot. Bonds2

About (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone

(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone (PubChem CID 61050917) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
PubChem CID61050917
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
SMILESO=C(c1cnc(Cl)c(Cl)c1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H20Cl2N2O/c17-13-9-12(10-19-15(13)18)16(21)20-8-4-7-14(20)11-5-2-1-3-6-11/h9-11,14H,1-8H2
InChIKeyACAWHVABWDHGAE-UHFFFAOYSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 54.57
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

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5,6-dichloro-3-pyridinyl)methanone
CID 78989235
(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62160898
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
CID 82752372
(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 61072247
methyl 1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43388589
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromo-2-chloro-3-pyridinyl)methanone
CID 94334915
N-cyclopropyl-1-(5,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 60733404
1-(5,6-dichloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60749477
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-4,5-dichlorophenyl)methanone
CID 102725149
(2-cyclohexylpyrrolidin-1-yl)-(6-fluoro-3-pyridinyl)methanone
CID 63979551
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47063019

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone?
The IUPAC name of (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone (CID 61050917) is (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone.
What is the SMILES notation for (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone?
The canonical SMILES for (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone is O=C(c1cnc(Cl)c(Cl)c1)N1CCCC1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone?
The InChIKey is ACAWHVABWDHGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-13-9-12(10-19-15(13)18)16(21)20-8-4-7-14(20)11-5-2-1-3-6-11/h9-11,14H,1-8H2.
What are the key properties of (2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone?
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone has a molecular weight of 327.25 g/mol, XLogP of 4.57, 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)-(5,6-dichloro-3-pyridinyl)methanone is sourced from PubChem (CID 61050917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).