2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide

C12H12FN3O2 — CID 61292900

IUPAC2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccnc(F)c2)no1
InChIInChI=1S/C12H12FN3O2/c1-8-5-10(15-18-8)7-16(2)12(17)9-3-4-14-11(13)6-9/h3-6H,7H2,1-2H3
InChIKeyQDLHYEXMIJAYQR-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.79
Rot. Bonds3

About 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide

2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 61292900) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID61292900
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCc1cc(CN(C)C(=O)c2ccnc(F)c2)no1
InChIInChI=1S/C12H12FN3O2/c1-8-5-10(15-18-8)7-16(2)12(17)9-3-4-14-11(13)6-9/h3-6H,7H2,1-2H3
InChIKeyQDLHYEXMIJAYQR-UHFFFAOYSA-N
XLogP1.79
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-bromo-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 113338807
2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
2-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 61435800
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
2-fluoro-N-methyl-N-[2-oxo-2-(propylamino)ethyl]pyridine-4-carboxamide
CID 61294360
5-amino-2-fluoro-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 103295980
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
2-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 63207878

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide (CID 61292900) is 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide is Cc1cc(CN(C)C(=O)c2ccnc(F)c2)no1.
What is the InChIKey of 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is QDLHYEXMIJAYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-8-5-10(15-18-8)7-16(2)12(17)9-3-4-14-11(13)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide?
2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 61292900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).