2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide

C13H18FN3O — CID 63207878

IUPAC2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H18FN3O/c1-16(8-9-17-6-2-3-7-17)13(18)11-4-5-15-12(14)10-11/h4-5,10H,2-3,6-9H2,1H3
InChIKeyWKAZVWPHWCDUDB-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.39
Rot. Bonds4

About 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide

2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide (PubChem CID 63207878) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
PubChem CID63207878
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1ccnc(F)c1
InChIInChI=1S/C13H18FN3O/c1-16(8-9-17-6-2-3-7-17)13(18)11-4-5-15-12(14)10-11/h4-5,10H,2-3,6-9H2,1H3
InChIKeyWKAZVWPHWCDUDB-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

N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
N,2,3-trimethyl-N-(2-pyrrolidin-1-ylethyl)quinoxaline-6-carboxamide
CID 110753524
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
3-hydroxy-4-iodo-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 104628289
N-methyl-N-(2-piperidin-1-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 110752384
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
N-methyl-N-(2-piperazin-1-ylethyl)pyridine-4-carboxamide
CID 63265506

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide (CID 63207878) is 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide is CN(CCN1CCCC1)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
The InChIKey is WKAZVWPHWCDUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-16(8-9-17-6-2-3-7-17)13(18)11-4-5-15-12(14)10-11/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide?
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-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 2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 63207878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).