2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

C11H15FN2O2 — CID 61293111

IUPAC2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8(7-16-3)14(2)11(15)9-4-5-13-10(12)6-9/h4-6,8H,7H2,1-3H3
InChIKeyYVKJWKWNJTZHLH-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.33
Rot. Bonds4

About 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide

2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (PubChem CID 61293111) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
PubChem CID61293111
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
SMILESCOCC(C)N(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8(7-16-3)14(2)11(15)9-4-5-13-10(12)6-9/h4-6,8H,7H2,1-3H3
InChIKeyYVKJWKWNJTZHLH-UHFFFAOYSA-N
XLogP1.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.33
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-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 61293810
2,6-dichloro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 60794728
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 62180314
1-(2-fluoro-4-pyridinyl)-2-methylpropan-1-one
CID 89195096
N-(1-methoxypropan-2-yl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 113224184

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide (CID 61293111) is 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is COCC(C)N(C)C(=O)c1ccnc(F)c1.
What is the InChIKey of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
The InChIKey is YVKJWKWNJTZHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8(7-16-3)14(2)11(15)9-4-5-13-10(12)6-9/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide?
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 61293111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).