(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

C14H19ClN2O — CID 113379995

IUPAC(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C)(C)C2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-4-11-7-10(8-12(15)16-11)13(18)17-6-5-14(2,3)9-17/h7-8H,4-6,9H2,1-3H3
InChIKeyOPRJIFYVFWSSOU-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.17
Rot. Bonds2

About (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 113379995) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID113379995
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCC(C)(C)C2)cc(Cl)n1
InChIInChI=1S/C14H19ClN2O/c1-4-11-7-10(8-12(15)16-11)13(18)17-6-5-14(2,3)9-17/h7-8H,4-6,9H2,1-3H3
InChIKeyOPRJIFYVFWSSOU-UHFFFAOYSA-N
XLogP3.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.17
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-chloro-6-ethyl-4-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 107877627
(2-chloro-6-propyl-4-pyridinyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107454474
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
(2-chloro-6-ethyl-4-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408661
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355788
(2-chloro-6-ethyl-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 113379780
(2-chloro-6-propyl-4-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668684
(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65286839
(3,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103956121
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553
(4-amino-3,5-dichlorophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 82833580

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 113379995) is (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is CCc1cc(C(=O)N2CCC(C)(C)C2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is OPRJIFYVFWSSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-4-11-7-10(8-12(15)16-11)13(18)17-6-5-14(2,3)9-17/h7-8H,4-6,9H2,1-3H3.
What are the key properties of (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 266.77 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113379995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).