2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide

C12H17FN2O2 — CID 80710277

IUPAC2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(2)17-7-6-15(3)12(16)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyOOLOVSZOELXQSZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.72
Rot. Bonds5

About 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide

2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide (PubChem CID 80710277) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
PubChem CID80710277
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
SMILESCC(C)OCCN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(2)17-7-6-15(3)12(16)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyOOLOVSZOELXQSZ-UHFFFAOYSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.72
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

2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
2-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 61294548
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111
N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
CID 61293660
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878
4-bromo-3-hydroxy-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 103873795
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304
5-[methyl(2-propan-2-yloxyethyl)carbamoyl]pyridine-2-carboxylic acid
CID 80710135
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81074943

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide (CID 80710277) is 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide is CC(C)OCCN(C)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide?
The InChIKey is OOLOVSZOELXQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(2)17-7-6-15(3)12(16)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide?
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 1.72, 5 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-propan-2-yloxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 80710277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).