2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

C17H18FN3O2 — CID 113163380

IUPAC2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccccn1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(11-16-4-2-3-9-19-16)12-17(23)20-10-14-5-7-15(18)8-6-14/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyALEFZXYLCGQDMN-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.89
Rot. Bonds6

About 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113163380) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113163380
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccccn1
InChIInChI=1S/C17H18FN3O2/c1-13(22)21(11-16-4-2-3-9-19-16)12-17(23)20-10-14-5-7-15(18)8-6-14/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyALEFZXYLCGQDMN-UHFFFAOYSA-N
XLogP1.89
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
(E)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 55618491
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 113163489
2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113163426
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
2-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113163524

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 113163380) is 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1ccccn1.
What is the InChIKey of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is ALEFZXYLCGQDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-13(22)21(11-16-4-2-3-9-19-16)12-17(23)20-10-14-5-7-15(18)8-6-14/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113163380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).