N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide

C15H16FN3O — CID 81311947

IUPACN-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(C)cn2)c1
InChIInChI=1S/C15H16FN3O/c1-10-3-4-13(17-8-10)9-18-15-7-12(19-11(2)20)5-6-14(15)16/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyWWDKUIBRRAHWEJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.10
Rot. Bonds4

About N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide

N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide (PubChem CID 81311947) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
PubChem CID81311947
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(NCc2ccc(C)cn2)c1
InChIInChI=1S/C15H16FN3O/c1-10-3-4-13(17-8-10)9-18-15-7-12(19-11(2)20)5-6-14(15)16/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyWWDKUIBRRAHWEJ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
N-[4-fluoro-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61170227
N-[3-[(2,4-dimethylphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672518
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132
N-[2-methoxy-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 80711477
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067729
N-[3-[(3,4-dihydroxyphenyl)methylamino]-4-fluorophenyl]acetamide
CID 43672553
N-[4-[(5-methyl-2-pyridinyl)methylamino]phenyl]propanamide
CID 80709466
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
methyl 5-fluoro-2-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81312860

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide (CID 81311947) is N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(F)c(NCc2ccc(C)cn2)c1.
What is the InChIKey of N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide?
The InChIKey is WWDKUIBRRAHWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-3-4-13(17-8-10)9-18-15-7-12(19-11(2)20)5-6-14(15)16/h3-8,18H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide?
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide has a molecular weight of 273.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 81311947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).