1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

C13H15Cl2N3O2 — CID 106151782

IUPAC1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C13H15Cl2N3O2/c1-13(12(20)16-2)3-4-18(7-13)11(19)8-5-9(14)17-10(15)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyNCNSGRRZLBVBFO-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.99
Rot. Bonds2

About 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106151782) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106151782
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1
InChIInChI=1S/C13H15Cl2N3O2/c1-13(12(20)16-2)3-4-18(7-13)11(19)8-5-9(14)17-10(15)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,20)
InChIKeyNCNSGRRZLBVBFO-UHFFFAOYSA-N
XLogP1.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-4,5-dichlorobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317423
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151768
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815
(2-chloro-6-ethyl-4-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 113379995
[2-chloro-6-(methylamino)-4-pyridinyl]-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875022
(2-tert-butyl-6-chloro-4-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355788
1-(6-chloro-4-nitro-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150503
1-(5-ethyl-1H-1,2,4-triazole-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321230
2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 106317951
1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321245

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106151782) is 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2cc(Cl)nc(Cl)c2)C1.
What is the InChIKey of 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is NCNSGRRZLBVBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-13(12(20)16-2)3-4-18(7-13)11(19)8-5-9(14)17-10(15)6-8/h5-6H,3-4,7H2,1-2H3,(H,16,20).
What are the key properties of 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106151782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).