1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

C12H16FN3O — CID 106321026

IUPAC1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccnc(F)c2)C1
InChIInChI=1S/C12H16FN3O/c1-12(11(17)14-2)4-6-16(8-12)9-3-5-15-10(13)7-9/h3,5,7H,4,6,8H2,1-2H3,(H,14,17)
InChIKeyOHBVKCCKFZUADS-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.18
Rot. Bonds2

About 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106321026) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106321026
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ccnc(F)c2)C1
InChIInChI=1S/C12H16FN3O/c1-12(11(17)14-2)4-6-16(8-12)9-3-5-15-10(13)7-9/h3,5,7H,4,6,8H2,1-2H3,(H,14,17)
InChIKeyOHBVKCCKFZUADS-UHFFFAOYSA-N
XLogP1.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.18
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

N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106319031
1-[4-(hydroxymethyl)-3-methylphenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318999
1-(3-chloro-4-formylphenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318881
1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150543
1-(6-amino-2,3-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317572
1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318499
1-[4-(aminomethyl)-3-bromophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317727
1-(3-iodo-4-nitrophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150517
N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
CID 154763274

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106321026) is 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2ccnc(F)c2)C1.
What is the InChIKey of 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is OHBVKCCKFZUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-12(11(17)14-2)4-6-16(8-12)9-3-5-15-10(13)7-9/h3,5,7H,4,6,8H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106321026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).