N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide

C12H18FN3O — CID 116813202

IUPACN-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C12H18FN3O/c1-9(2)14-8-4-7-12(17)16-11-6-3-5-10(13)15-11/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,16,17)
InChIKeyRFGFNXAWPMWBJV-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.94
Rot. Bonds6

About N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide

N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide (PubChem CID 116813202) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
PubChem CID116813202
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC NameN-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C12H18FN3O/c1-9(2)14-8-4-7-12(17)16-11-6-3-5-10(13)15-11/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,16,17)
InChIKeyRFGFNXAWPMWBJV-UHFFFAOYSA-N
XLogP1.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
N-(6-fluoro-2-pyridinyl)octanamide
CID 104820556
N-(6-bromo-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 130299737
4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
CID 116813180
N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 104820526
4-amino-N-(6-fluoro-2-pyridinyl)-3-methylbutanamide
CID 116813228
N-(6-fluoro-2-pyridinyl)-3-phenylpropanamide
CID 104820903
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108
N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
CID 113456887
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide (CID 116813202) is N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
The InChIKey is RFGFNXAWPMWBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-9(2)14-8-4-7-12(17)16-11-6-3-5-10(13)15-11/h3,5-6,9,14H,4,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide?
N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide has a molecular weight of 239.29 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 116813202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).