1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide

C13H15ClFN3O2 — CID 126840807

IUPAC1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cncc(F)c1Cl
InChIInChI=1S/C13H15ClFN3O2/c1-17(2)13(20)10-4-3-5-18(10)12(19)8-6-16-7-9(15)11(8)14/h6-7,10H,3-5H2,1-2H3
InChIKeyZYGWAVWWIIHZJR-UHFFFAOYSA-N
MW299.73 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 126840807) has the molecular formula C13H15ClFN3O2 and a molecular weight of 299.73 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID126840807
Molecular FormulaC13H15ClFN3O2
Molecular Weight299.73 g/mol
Exact Mass299.08
IUPAC Name1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C(=O)c1cncc(F)c1Cl
InChIInChI=1S/C13H15ClFN3O2/c1-17(2)13(20)10-4-3-5-18(10)12(19)8-6-16-7-9(15)11(8)14/h6-7,10H,3-5H2,1-2H3
InChIKeyZYGWAVWWIIHZJR-UHFFFAOYSA-N
XLogP1.57
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 167765690
1-[2-fluoro-4-(5-methyltetrazol-1-yl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136545609
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(5-cyclopentylsulfonyl-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 119037219
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
N,N-dimethyl-1-(quinoline-5-carbonyl)pyrrolidine-2-carboxamide
CID 42940173
1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 127266189

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 126840807) is 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C(=O)c1cncc(F)c1Cl.
What is the InChIKey of 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ZYGWAVWWIIHZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O2/c1-17(2)13(20)10-4-3-5-18(10)12(19)8-6-16-7-9(15)11(8)14/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 299.73 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126840807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).