6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

C13H18FN3O — CID 113323599

IUPAC6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H18FN3O/c1-16(9-10-17-7-2-3-8-17)13(18)11-5-4-6-12(14)15-11/h4-6H,2-3,7-10H2,1H3
InChIKeyDYYVBMIUESNYRT-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.39
Rot. Bonds4

About 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 113323599) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID113323599
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H18FN3O/c1-16(9-10-17-7-2-3-8-17)13(18)11-5-4-6-12(14)15-11/h4-6H,2-3,7-10H2,1H3
InChIKeyDYYVBMIUESNYRT-UHFFFAOYSA-N
XLogP1.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 115497621
3-[(6-fluoropyridine-2-carbonyl)-methylamino]propanoic acid
CID 115496358
2-fluoro-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 110753364
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878
N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115498047
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
6-fluoro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 115497073
2-hydroxy-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63211055
N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497103
2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63206760
2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 55161858
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (CID 113323599) is 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is CN(CCN1CCCC1)C(=O)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is DYYVBMIUESNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-16(9-10-17-7-2-3-8-17)13(18)11-5-4-6-12(14)15-11/h4-6H,2-3,7-10H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 113323599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).