N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide

C15H16FN3O — CID 113033078

IUPACN-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-10(2)15(20)19-14-8-7-13(9-17-14)18-12-5-3-11(16)4-6-12/h3-10,18H,1-2H3,(H,17,19,20)
InChIKeyUOJPUEIZXSMJLW-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.56
Rot. Bonds4

About N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide

N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide (PubChem CID 113033078) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
PubChem CID113033078
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C15H16FN3O/c1-10(2)15(20)19-14-8-7-13(9-17-14)18-12-5-3-11(16)4-6-12/h3-10,18H,1-2H3,(H,17,19,20)
InChIKeyUOJPUEIZXSMJLW-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
CID 113032752
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033749
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
CID 113023196
N-[5-(2-ethyl-6-methylanilino)-2-pyridinyl]-2-methylpropanamide
CID 113032651
2-methyl-N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]propanamide
CID 113026479
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
4-fluoro-N-[5-(propan-2-ylamino)-2-pyridinyl]benzamide
CID 113023565
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
CID 113036420
N-[6-(cyclopropylamino)-3-pyridinyl]-2-methylpropanamide
CID 115268625

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide (CID 113033078) is N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Nc2ccc(F)cc2)cn1.
What is the InChIKey of N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide?
The InChIKey is UOJPUEIZXSMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10(2)15(20)19-14-8-7-13(9-17-14)18-12-5-3-11(16)4-6-12/h3-10,18H,1-2H3,(H,17,19,20).
What are the key properties of N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide?
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide has a molecular weight of 273.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 113033078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).