N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide

C15H16FN3O — CID 104749373

IUPACN-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(C)nc2)ccc1F
InChIInChI=1S/C15H16FN3O/c1-10-3-4-12(8-17-10)9-18-13-5-6-14(16)15(7-13)19-11(2)20/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyIHHYFMVBQZWIKN-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.10
Rot. Bonds4

About N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide

N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide (PubChem CID 104749373) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
PubChem CID104749373
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccc(C)nc2)ccc1F
InChIInChI=1S/C15H16FN3O/c1-10-3-4-12(8-17-10)9-18-13-5-6-14(16)15(7-13)19-11(2)20/h3-8,18H,9H2,1-2H3,(H,19,20)
InChIKeyIHHYFMVBQZWIKN-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

N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[2-fluoro-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]acetamide
CID 54862658
N-(3,4-difluorophenyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 71940458
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821841
N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
CID 54862737
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide (CID 104749373) is N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2ccc(C)nc2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
The InChIKey is IHHYFMVBQZWIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-3-4-12(8-17-10)9-18-13-5-6-14(16)15(7-13)19-11(2)20/h3-8,18H,9H2,1-2H3,(H,19,20).
What are the key properties of N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide?
N-[2-fluoro-5-[(6-methyl-3-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-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 104749373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).