N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide

C12H17FN2O2 — CID 118544263

IUPACN-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(F)[nH]1
InChIInChI=1S/C12H17FN2O2/c1-7-5-9(16)8(10(13)15-7)6-14-11(17)12(2,3)4/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyUXVFTPKHKGEJAN-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.48
Rot. Bonds2

About N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide

N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 118544263) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
PubChem CID118544263
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
SMILESCc1cc(=O)c(CNC(=O)C(C)(C)C)c(F)[nH]1
InChIInChI=1S/C12H17FN2O2/c1-7-5-9(16)8(10(13)15-7)6-14-11(17)12(2,3)4/h5H,6H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyUXVFTPKHKGEJAN-UHFFFAOYSA-N
XLogP1.48
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-oxo-1-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 49820780
N-[2-(diethylamino)ethyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444316
N-[3-(diethylamino)propyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 14444317
N-[2-(butylamino)-2-oxoethyl]-N,2,6-trimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 121498599
2-ethyl-5,6,7,8-tetrahydro-6-trifluoroacetyl-1,6-naphthyridin-4(1H)-one
CID 19771695
N-[4-(2-fluoroethylamino)-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]acetamide
CID 23652841
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544287
N-[(5-fluoro-2-methoxy-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide
CID 118544316
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]-2,2-dimethylpropanamide
CID 118544322
2,2-dimethyl-N-[[6-methyl-4-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]methyl]propanamide
CID 118544324
N-[(6-fluoro-2-methyl-4-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 118544380
N-[[2-methoxy-4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]methyl]acetamide
CID 118544409

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide (CID 118544263) is N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide is Cc1cc(=O)c(CNC(=O)C(C)(C)C)c(F)[nH]1.
What is the InChIKey of N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is UXVFTPKHKGEJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7-5-9(16)8(10(13)15-7)6-14-11(17)12(2,3)4/h5H,6H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide?
N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-6-methyl-4-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 118544263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).