N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide

C15H15FN2O — CID 113456887

IUPACN-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C15H15FN2O/c1-11-5-2-3-6-12(11)9-10-15(19)18-14-8-4-7-13(16)17-14/h2-8H,9-10H2,1H3,(H,17,18,19)
InChIKeyVDCJYVKMTGZNJJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.10
Rot. Bonds4

About N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide

N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide (PubChem CID 113456887) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
PubChem CID113456887
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(F)n1
InChIInChI=1S/C15H15FN2O/c1-11-5-2-3-6-12(11)9-10-15(19)18-14-8-4-7-13(16)17-14/h2-8H,9-10H2,1H3,(H,17,18,19)
InChIKeyVDCJYVKMTGZNJJ-UHFFFAOYSA-N
XLogP3.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.10
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

N-(6-fluoro-2-pyridinyl)pentanamide
CID 104820722
4-amino-N-(6-fluoro-2-pyridinyl)-4-methylpentanamide
CID 116813180
N-(6-chloropyridazin-3-yl)-3-(2-methylphenyl)propanamide
CID 115624553
3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
CID 112535330
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
CID 64781649
N-(6-fluoro-2-pyridinyl)-3,3-dimethylbutanamide
CID 104820780
(2S)-2-amino-N-(6-fluoro-2-pyridinyl)propanamide
CID 104893703
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108
N-(6-fluoro-2-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 116813202
ethyl 2-amino-3-[(6-fluoro-2-pyridinyl)amino]-3-oxopropanoate
CID 116813320

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide (CID 113456887) is N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide?
The InChIKey is VDCJYVKMTGZNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-11-5-2-3-6-12(11)9-10-15(19)18-14-8-4-7-13(16)17-14/h2-8H,9-10H2,1H3,(H,17,18,19).
What are the key properties of N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide?
N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide has a molecular weight of 258.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 113456887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).