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

C12H16FN3O — CID 115497621

IUPAC6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1cccc(F)n1
InChIInChI=1S/C12H16FN3O/c13-11-5-3-4-10(15-11)12(17)14-6-9-16-7-1-2-8-16/h3-5H,1-2,6-9H2,(H,14,17)
InChIKeyKMWJEFYQBLYJSF-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.05
Rot. Bonds4

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

6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 115497621) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID115497621
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1cccc(F)n1
InChIInChI=1S/C12H16FN3O/c13-11-5-3-4-10(15-11)12(17)14-6-9-16-7-1-2-8-16/h3-5H,1-2,6-9H2,(H,14,17)
InChIKeyKMWJEFYQBLYJSF-UHFFFAOYSA-N
XLogP1.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.05
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

6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 113323599
1-[2-[(6-fluoropyridine-2-carbonyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497359
6-fluoro-N-(2-imidazol-1-ylethyl)pyridine-2-carboxamide
CID 115497664
6-(2-piperazin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 61408387
N-(2-morpholin-4-ylethyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095108
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-fluoro-N-hex-5-ynylpyridine-2-carboxamide
CID 103873748
6-bromo-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 103875005
6-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 62990248
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (CID 115497621) is 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCCC1)c1cccc(F)n1.
What is the InChIKey of 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is KMWJEFYQBLYJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-11-5-3-4-10(15-11)12(17)14-6-9-16-7-1-2-8-16/h3-5H,1-2,6-9H2,(H,14,17).
What are the key properties of 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115497621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).