N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide

C13H19FN2O — CID 103789664

IUPACN-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(F)nc1)C(C)(C)C
InChIInChI=1S/C13H19FN2O/c1-9(13(2,3)4)7-12(17)16-10-5-6-11(14)15-8-10/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyDWLOKSFCOIBEIP-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.23
Rot. Bonds3

About N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide

N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide (PubChem CID 103789664) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
PubChem CID103789664
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(F)nc1)C(C)(C)C
InChIInChI=1S/C13H19FN2O/c1-9(13(2,3)4)7-12(17)16-10-5-6-11(14)15-8-10/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyDWLOKSFCOIBEIP-UHFFFAOYSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(6-fluoro-3-pyridinyl)-3,3-dimethylbutanamide
CID 103808708
2-amino-N-(6-fluoro-3-pyridinyl)acetamide
CID 103794912
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446
3-amino-N-(6-fluoro-3-pyridinyl)-3-phenylpropanamide
CID 103823688
N-[4-(dimethylamino)phenyl]-3,4,4-trimethylpentanamide
CID 86901166
2-(4-bromophenyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 103789943
N-(3-carbamothioyl-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63832914
3-[(6-fluoro-3-pyridinyl)amino]butanamide
CID 126988107
(2R)-2-amino-N-(6-fluoro-3-pyridinyl)butanamide
CID 104878117
2-[5-(3,5,5-trimethylhexanoylamino)-2-pyridinyl]acetic acid
CID 107338804
N-(4-ethoxy-3-methoxyphenyl)-3,4,4-trimethylpentanamide
CID 86901200
N-(4-fluorophenyl)-2-(2,3,3-trimethylbutylamino)acetamide
CID 83143170

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide (CID 103789664) is N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccc(F)nc1)C(C)(C)C.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide?
The InChIKey is DWLOKSFCOIBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9(13(2,3)4)7-12(17)16-10-5-6-11(14)15-8-10/h5-6,8-9H,7H2,1-4H3,(H,16,17).
What are the key properties of N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide?
N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide has a molecular weight of 238.31 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 103789664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).