(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone

C15H18Cl2N2O — CID 61072247

IUPAC(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCCC1C1CCCC1
InChIInChI=1S/C15H18Cl2N2O/c16-13-8-11(9-14(17)18-13)15(20)19-7-3-6-12(19)10-4-1-2-5-10/h8-10,12H,1-7H2
InChIKeyNRMQUEAKGDKDDF-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.18
Rot. Bonds2

About (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone

(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone (PubChem CID 61072247) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
PubChem CID61072247
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCCC1C1CCCC1
InChIInChI=1S/C15H18Cl2N2O/c16-13-8-11(9-14(17)18-13)15(20)19-7-3-6-12(19)10-4-1-2-5-10/h8-10,12H,1-7H2
InChIKeyNRMQUEAKGDKDDF-UHFFFAOYSA-N
XLogP4.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.18
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-(2,6-dichloro-4-pyridinyl)methanone
CID 78989284
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[2-chloro-6-(methylamino)-4-pyridinyl]methanone
CID 78954215
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]-(3-amino-5-chlorophenyl)methanone
CID 102725169
(2,6-dichloro-4-pyridinyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955470
[(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)-(3,5-diaminophenyl)methanone
CID 61108376
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917
(6-amino-5-chloro-3-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 62160898
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3,5-dinitrophenyl)methanone
CID 7034399
1-(2,6-dichloropyridine-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 61053437

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone?
The IUPAC name of (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone (CID 61072247) is (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone.
What is the SMILES notation for (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone?
The canonical SMILES for (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone is O=C(c1cc(Cl)nc(Cl)c1)N1CCCC1C1CCCC1.
What is the InChIKey of (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone?
The InChIKey is NRMQUEAKGDKDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c16-13-8-11(9-14(17)18-13)15(20)19-7-3-6-12(19)10-4-1-2-5-10/h8-10,12H,1-7H2.
What are the key properties of (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone?
(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone has a molecular weight of 313.23 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone is sourced from PubChem (CID 61072247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).