N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide

C22H31FN4O4 — CID 159020962

IUPACN-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCOc1nccc(F)c1NC(=O)C(C)(C)C.COc1ncccc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15FN2O2.C11H16N2O2/c1-11(2,3)10(15)14-8-7(12)5-6-13-9(8)16-4;1-11(2,3)10(14)13-8-6-5-7-12-9(8)15-4/h5-6H,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14)
InChIKeyJTROIZSCEZWRKE-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.29
Rot. Bonds4

About N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide

N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide (PubChem CID 159020962) has the molecular formula C22H31FN4O4 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
PubChem CID159020962
Molecular FormulaC22H31FN4O4
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC NameN-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide
SMILESCOc1nccc(F)c1NC(=O)C(C)(C)C.COc1ncccc1NC(=O)C(C)(C)C
InChIInChI=1S/C11H15FN2O2.C11H16N2O2/c1-11(2,3)10(15)14-8-7(12)5-6-13-9(8)16-4;1-11(2,3)10(14)13-8-6-5-7-12-9(8)15-4/h5-6H,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14)
InChIKeyJTROIZSCEZWRKE-UHFFFAOYSA-N
XLogP4.29
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide with MolForge

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Related Compounds

2-amino-3,3,3-trifluoro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 79797297
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid
CID 122442933
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
N-(2-formyl-3-pyridinyl)-2,2-dimethylpropanamide
CID 121217282
2-bromo-N-(2-ethoxy-3-pyridinyl)-2-methylpropanamide
CID 114327859
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
CID 43708890

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide (CID 159020962) is N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide is COc1nccc(F)c1NC(=O)C(C)(C)C.COc1ncccc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
The InChIKey is JTROIZSCEZWRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2.C11H16N2O2/c1-11(2,3)10(15)14-8-7(12)5-6-13-9(8)16-4;1-11(2,3)10(14)13-8-6-5-7-12-9(8)15-4/h5-6H,1-4H3,(H,14,15);5-7H,1-4H3,(H,13,14).
What are the key properties of N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide?
N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide has a molecular weight of 434.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide;N-(2-methoxy-3-pyridinyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 159020962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).